data_General
_audit_creation_date                  '2009-01-21'
_audit_creation_method                'by CrystalStructure 3.8'
_audit_update_record                   ?

#==============================================================================

# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?
_journal_coeditor_code            ?

#==============================================================================

# SUBMISSION DETAILS

_publ_contact_author_name             'ENTER NAME'
_publ_contact_author_email            'ENTER EMAIL ADDRESS'
_publ_contact_author_fax              'ENTER FAX NUMBER'
_publ_contact_author_phone            'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal               'ENTER JOURNAL NAME HERE'
_publ_requested_category              'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name          ?

#==============================================================================

# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
  ENTER SYNOPSIS
;

#==============================================================================

# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku/MSC and Rigaku Corporation. (2006).
    CrystalStructure (Version 3.8). 
    Single Crystal Structure Analysis Software.
    Rigaku/MSC, 9009 TX, USA 77381-5209.
    Rigaku, Tokyo 196-8666, Japan.

    Carruthers, J.R., Rollett,J.S., Betteridge, P.W.,
	 Kinna, D., Pearce, L., Larsen, A., and Gabe, E.(1999)
    CRYSTALS Issue 11, Chemical Crystallography Laboratory, Oxford, UK.

    Larson, A. C. (1970), Crystallographic Computing, 291-294.
    ed F. R. Ahmed, Munksgaard, Copenhagen.

    Carruthers, J.R. and Watkin, D.J. (1979), Acta Cryst, A35, 698-699
;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================

data__User-defined

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum                  'Ca5 Cl0.25 F0.75 O12 P3 '
_chemical_formula_moiety               'Ca5 Cl0.25 F0.75 O12 P3 '
_chemical_formula_weight               508.43
_chemical_melting_point                ?

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting                 hexgonal
_symmetry_space_group_name_H-M        'P 63/m'
_symmetry_space_group_name_Hall       '-P 6c'
_symmetry_Int_Tables_number            176
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1   '+X,+Y,+Z'
2   '+X-Y,+X,1/2+Z'
3   '-Y,+X-Y,+Z'
4   '-X,-Y,1/2+Z'
5   '-X+Y,-X,+Z'
6   '+Y,-X+Y,1/2+Z'
7   '-X,-Y,-Z'
8   '-X+Y,-X,1/2-Z'
9   '+Y,-X+Y,-Z'
10  '+X,+Y,1/2-Z'
11  '+X-Y,+X,-Z'
12  '-Y,+X-Y,1/2-Z'

#------------------------------------------------------------------------------

_cell_length_a                         9.44065(17)
_cell_length_b                         9.44065(17)
_cell_length_c                         6.86804(12)
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      120.0000
_cell_volume                           530.112(16)
_cell_formula_units_Z                  2
_cell_measurement_reflns_used          5800
_cell_measurement_theta_min            8.4
_cell_measurement_theta_max            70.6
_cell_measurement_temperature          293.1

#------------------------------------------------------------------------------

_exptl_crystal_description            'Prism'
_exptl_crystal_colour                 'Colorless'
_exptl_crystal_size_max                0.20
_exptl_crystal_size_mid                0.20
_exptl_crystal_size_min                0.20
_exptl_crystal_density_diffrn          3.185
_exptl_crystal_density_meas            ?
_exptl_crystal_density_method         'not measured'
_exptl_crystal_F_000                   504.00
_exptl_absorpt_coefficient_mu          27.849
_exptl_absorpt_correction_type         numerical
_exptl_absorpt_process_details         
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min        0.001
_exptl_absorpt_correction_T_max        0.004

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_radiation_type                'Cu K\a'
_diffrn_radiation_wavelength           1.54187
_diffrn_measurement_device_type       'Rigaku RAXIS-RAPID'
_diffrn_measurement_method             \w
_diffrn_detector_area_resol_mean       10.00
_diffrn_reflns_number                  12237
_diffrn_reflns_av_R_equivalents        0.113
_diffrn_reflns_theta_max               70.91
_diffrn_measured_fraction_theta_max    0.982
_diffrn_reflns_theta_full              70.91
_diffrn_measured_fraction_theta_full   0.982
_diffrn_reflns_limit_h_min             -11
_diffrn_reflns_limit_h_max             11
_diffrn_reflns_limit_k_min             -11
_diffrn_reflns_limit_k_max             11
_diffrn_reflns_limit_l_min             -7
_diffrn_reflns_limit_l_max             8

#==============================================================================

# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using reflections with F^2^ > 2.0 sigma(F^2^).
    The weighted R-factor(wR), goodness of fit (S) and R-factor (gt) are 
    based on F, with F set to zero for negative F. The threshold expression of
    F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).
;
_reflns_number_total                   372
_reflns_number_gt                      11447
_reflns_threshold_expression           F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef       F
_refine_ls_R_factor_gt                 0.0567
_refine_ls_wR_factor_ref               0.0684
_refine_ls_hydrogen_treatment          ?
_refine_ls_number_reflns               11464
_refine_ls_number_parameters           43
_refine_ls_goodness_of_fit_ref         1.060
_refine_ls_weighting_scheme            calc
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    28.9673    -7.7359    25.5168
;
_refine_ls_shift/su_max                0.0000
_refine_diff_density_max               -19.10
_refine_diff_density_min               -19.10
_refine_ls_extinction_method           
   'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef             44.2(8)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'Ca' 'Ca'  0.364 1.286 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'P' 'P'  0.295 0.434 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'O' 'O'  0.049 0.032 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'F' 'F'  0.073 0.053 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Cl' 'Cl'  0.364 0.702 
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
 Ca(1) Ca 0.3333 0.6667 0.00138(4) 0.00531(7) Uani 1.00 3 d S . .
 Ca(2) Ca 0.24043(17) -0.00555(4) 0.2500 0.00384(10) Uiso 0.76 2 d SP . .
 Cl(1) Cl 0.0000 0.0000 0.3737(13) 0.0598(19) Uani 0.12 3 d SP . .
 P(3) P 0.39977(3) 0.36952(3) 0.2500 0.00189(8) Uani 1.00 2 d S . .
 F(1) F 0.0000 0.0000 0.2500 0.0250(7) Uani 0.76 6 d SP . .
 O(1) O 0.33016(8) 0.48521(7) 0.2500 0.00573(18) Uani 1.00 2 d S . .
 O(2) O 0.58808(8) 0.46542(8) 0.2500 0.01041(19) Uani 1.00 2 d S . .
 O(3) O 0.34430(6) 0.25912(5) 0.07041(9) 0.01247(16) Uani 1.00 1 d . . .
 Ca(3) Ca 0.2680(5) -0.00597(14) 0.2500 0.00384(10) Uiso 0.24 2 d SP . .


loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Ca(1) 0.00691(12) 0.00691(12) 0.0021(2) 0.00346(6) 0.0000 0.0000
 Cl(1) 0.0113(11) 0.0113(11) 0.157(9) 0.0057(5) 0.0000 0.0000
 P(3) 0.00177(14) 0.00182(13) 0.0029(2) 0.00152(9) 0.0000 0.0000
 F(1) 0.0032(6) 0.0032(6) 0.069(2) 0.0016(3) 0.0000 0.0000
 O(1) 0.0094(3) 0.0062(3) 0.0059(4) 0.0071(2) 0.0000 0.0000
 O(2) 0.0020(3) 0.0094(3) 0.0200(5) 0.0029(2) 0.0000 0.0000
 O(3) 0.0253(2) 0.0106(2) 0.0084(4) 0.0141(2) -0.0101(2) -0.0072(2)

#==============================================================================

_computing_data_collection            'PROCESS-AUTO'
_computing_cell_refinement            'PROCESS-AUTO'
_computing_data_reduction             'CrystalStructure'
_computing_structure_solution         'SIR92'
_computing_structure_refinement       'CRYSTALS'
_computing_publication_material       'CrystalStructure 3.8'
_computing_molecular_graphics          ?

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ca(1) Ca(1) 3.4530(3) yes . 8_564
Ca(1) Ca(1) 3.4151(3) yes . 8_565
Ca(1) P(3) 3.2105(2) yes . 2_554
Ca(1) P(3) 3.2105(3) yes . 4_664
Ca(1) P(3) 3.2104(2) yes . 6_564
Ca(1) O(1) 2.4083(5) yes . .
Ca(1) O(1) 2.4083(4) yes . 3_665
Ca(1) O(1) 2.4083(6) yes . 5_565
Ca(1) O(2) 2.4518(5) yes . 2_554
Ca(1) O(2) 2.4518(6) yes . 4_664
Ca(1) O(2) 2.4518(4) yes . 6_564
Ca(1) O(3) 2.8043(5) yes . 7_665
Ca(1) O(3) 2.8042(6) yes . 9_565
Ca(1) O(3) 2.8042(3) yes . 11_555
Ca(2) Cl(1) 2.449(3) yes . .
Ca(2) Cl(1) 2.449(3) yes . 8_555
Ca(2) P(3) 3.0780(4) yes . .
Ca(2) P(3) 3.2971(4) yes . 5_555
Ca(2) F(1) 2.2965(16) yes . .
Ca(2) O(1) 2.7515(8) yes . 5_555
Ca(2) O(2) 2.4115(15) yes . 3_655
Ca(2) O(3) 2.5052(6) yes . .
Ca(2) O(3) 2.3604(7) yes . 6_555
Ca(2) O(3) 2.3604(7) yes . 9_555
Ca(2) O(3) 2.5052(6) yes . 10_555
Ca(2) Ca(3) 0.262(5) yes . .
Cl(1) Cl(1) 1.735(12) yes . 7_556
Cl(1) Cl(1) 1.699(12) yes . 8_555
Cl(1) F(1) 0.850(9) yes . .
Cl(1) Ca(3) 2.696(5) yes . .
Cl(1) Ca(3) 2.696(3) yes . 3_555
Cl(1) Ca(3) 2.696(3) yes . 5_555
P(3) O(1) 1.5305(9) yes . .
P(3) O(2) 1.5397(6) yes . .
P(3) O(3) 1.5284(5) yes . .
P(3) O(3) 1.5284(5) yes . 10_555
P(3) Ca(3) 3.1151(15) yes . .
P(3) Ca(3) 3.359(4) yes . 3_555
P(3) Ca(3) 3.264(2) yes . 5_665
F(1) Ca(3) 2.559(5) yes . .
F(1) Ca(3) 2.559(2) yes . 3_555
F(1) Ca(3) 2.559(2) yes . 5_555
O(1) Ca(3) 2.691(3) yes . 3_555
O(2) Ca(3) 2.1799(13) yes . 5_665
O(3) Ca(3) 2.5497(16) yes . .
O(3) Ca(3) 2.3122(16) yes . 2_554

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
Ca(1) Ca(1) Ca(1) 180.0000 yes 8_564 . 8_565
Ca(1) Ca(1) P(3) 57.469(4) yes 8_564 . 2_554
Ca(1) Ca(1) P(3) 57.467(5) yes 8_564 . 4_664
Ca(1) Ca(1) P(3) 57.468(5) yes 8_564 . 6_564
Ca(1) Ca(1) O(1) 135.154(13) yes 8_564 . .
Ca(1) Ca(1) O(1) 135.155(9) yes 8_564 . 3_665
Ca(1) Ca(1) O(1) 135.158(14) yes 8_564 . 5_565
Ca(1) Ca(1) O(2) 45.238(12) yes 8_564 . 2_554
Ca(1) Ca(1) O(2) 45.237(15) yes 8_564 . 4_664
Ca(1) Ca(1) O(2) 45.237(10) yes 8_564 . 6_564
Ca(1) Ca(1) O(3) 79.872(13) yes 8_564 . 7_665
Ca(1) Ca(1) O(3) 79.874(13) yes 8_564 . 9_565
Ca(1) Ca(1) O(3) 79.874(13) yes 8_564 . 11_555
Ca(1) Ca(1) P(3) 122.533(4) yes 8_565 . 2_554
Ca(1) Ca(1) P(3) 122.530(5) yes 8_565 . 4_664
Ca(1) Ca(1) P(3) 122.533(5) yes 8_565 . 6_564
Ca(1) Ca(1) O(1) 44.845(13) yes 8_565 . .
Ca(1) Ca(1) O(1) 44.844(9) yes 8_565 . 3_665
Ca(1) Ca(1) O(1) 44.845(14) yes 8_565 . 5_565
Ca(1) Ca(1) O(2) 134.765(12) yes 8_565 . 2_554
Ca(1) Ca(1) O(2) 134.761(15) yes 8_565 . 4_664
Ca(1) Ca(1) O(2) 134.763(10) yes 8_565 . 6_564
Ca(1) Ca(1) O(3) 100.125(13) yes 8_565 . 7_665
Ca(1) Ca(1) O(3) 100.128(13) yes 8_565 . 9_565
Ca(1) Ca(1) O(3) 100.127(13) yes 8_565 . 11_555
P(3) Ca(1) P(3) 93.795(7) yes 2_554 . 4_664
P(3) Ca(1) P(3) 93.797(7) yes 2_554 . 6_564
P(3) Ca(1) O(1) 97.688(11) yes 2_554 . .
P(3) Ca(1) O(1) 166.703(14) yes 2_554 . 3_665
P(3) Ca(1) O(1) 92.115(11) yes 2_554 . 5_565
P(3) Ca(1) O(2) 27.628(17) yes 2_554 . 2_554
P(3) Ca(1) O(2) 66.405(15) yes 2_554 . 4_664
P(3) Ca(1) O(2) 98.638(12) yes 2_554 . 6_564
P(3) Ca(1) O(3) 122.110(13) yes 2_554 . 7_665
P(3) Ca(1) O(3) 93.682(12) yes 2_554 . 9_565
P(3) Ca(1) O(3) 28.427(13) yes 2_554 . 11_555
P(3) Ca(1) P(3) 93.796(8) yes 4_664 . 6_564
P(3) Ca(1) O(1) 92.112(17) yes 4_664 . .
P(3) Ca(1) O(1) 97.688(17) yes 4_664 . 3_665
P(3) Ca(1) O(1) 166.701(17) yes 4_664 . 5_565
P(3) Ca(1) O(2) 98.637(17) yes 4_664 . 2_554
P(3) Ca(1) O(2) 27.628(13) yes 4_664 . 4_664
P(3) Ca(1) O(2) 66.40(2) yes 4_664 . 6_564
P(3) Ca(1) O(3) 28.427(11) yes 4_664 . 7_665
P(3) Ca(1) O(3) 122.111(14) yes 4_664 . 9_565
P(3) Ca(1) O(3) 93.680(14) yes 4_664 . 11_555
P(3) Ca(1) O(1) 166.703(13) yes 6_564 . .
P(3) Ca(1) O(1) 92.115(14) yes 6_564 . 3_665
P(3) Ca(1) O(1) 97.691(16) yes 6_564 . 5_565
P(3) Ca(1) O(2) 66.406(16) yes 6_564 . 2_554
P(3) Ca(1) O(2) 98.638(16) yes 6_564 . 4_664
P(3) Ca(1) O(2) 27.63(2) yes 6_564 . 6_564
P(3) Ca(1) O(3) 93.681(12) yes 6_564 . 7_665
P(3) Ca(1) O(3) 28.427(12) yes 6_564 . 9_565
P(3) Ca(1) O(3) 122.112(14) yes 6_564 . 11_555
O(1) Ca(1) O(1) 75.281(18) yes . . 3_665
O(1) Ca(1) O(1) 75.28(2) yes . . 5_565
O(1) Ca(1) O(2) 124.356(18) yes . . 2_554
O(1) Ca(1) O(2) 92.11(2) yes . . 4_664
O(1) Ca(1) O(2) 153.72(2) yes . . 6_564
O(1) Ca(1) O(3) 85.89(2) yes . . 7_665
O(1) Ca(1) O(3) 143.08(2) yes . . 9_565
O(1) Ca(1) O(3) 69.278(16) yes . . 11_555
O(1) Ca(1) O(1) 75.28(2) yes 3_665 . 5_565
O(1) Ca(1) O(2) 153.73(2) yes 3_665 . 2_554
O(1) Ca(1) O(2) 124.35(2) yes 3_665 . 4_664
O(1) Ca(1) O(2) 92.109(12) yes 3_665 . 6_564
O(1) Ca(1) O(3) 69.28(2) yes 3_665 . 7_665
O(1) Ca(1) O(3) 85.89(2) yes 3_665 . 9_565
O(1) Ca(1) O(3) 143.079(18) yes 3_665 . 11_555
O(1) Ca(1) O(2) 92.110(19) yes 5_565 . 2_554
O(1) Ca(1) O(2) 153.726(17) yes 5_565 . 4_664
O(1) Ca(1) O(2) 124.36(2) yes 5_565 . 6_564
O(1) Ca(1) O(3) 143.080(19) yes 5_565 . 7_665
O(1) Ca(1) O(3) 69.28(2) yes 5_565 . 9_565
O(1) Ca(1) O(3) 85.891(17) yes 5_565 . 11_555
O(2) Ca(1) O(2) 75.89(2) yes 2_554 . 4_664
O(2) Ca(1) O(2) 75.890(17) yes 2_554 . 6_564
O(2) Ca(1) O(3) 124.51(2) yes 2_554 . 7_665
O(2) Ca(1) O(3) 67.99(2) yes 2_554 . 9_565
O(2) Ca(1) O(3) 55.71(2) yes 2_554 . 11_555
O(2) Ca(1) O(2) 75.89(2) yes 4_664 . 6_564
O(2) Ca(1) O(3) 55.713(17) yes 4_664 . 7_665
O(2) Ca(1) O(3) 124.52(2) yes 4_664 . 9_565
O(2) Ca(1) O(3) 67.991(18) yes 4_664 . 11_555
O(2) Ca(1) O(3) 67.99(2) yes 6_564 . 7_665
O(2) Ca(1) O(3) 55.71(2) yes 6_564 . 9_565
O(2) Ca(1) O(3) 124.515(18) yes 6_564 . 11_555
O(3) Ca(1) O(3) 116.977(14) yes 7_665 . 9_565
O(3) Ca(1) O(3) 116.975(16) yes 7_665 . 11_555
O(3) Ca(1) O(3) 116.978(16) yes 9_565 . 11_555
Cl(1) Ca(2) Cl(1) 40.6(2) yes . . 8_555
Cl(1) Ca(2) P(3) 84.29(3) yes . . .
Cl(1) Ca(2) P(3) 79.66(3) yes . . 5_555
Cl(1) Ca(2) F(1) 20.30(19) yes . . .
Cl(1) Ca(2) O(1) 105.39(3) yes . . 5_555
Cl(1) Ca(2) O(2) 146.76(11) yes . . 3_655
Cl(1) Ca(2) O(3) 93.11(10) yes . . .
Cl(1) Ca(2) O(3) 84.32(19) yes . . 6_555
Cl(1) Ca(2) O(3) 123.23(19) yes . . 9_555
Cl(1) Ca(2) O(3) 73.30(9) yes . . 10_555
Cl(1) Ca(2) Ca(3) 159.69(19) yes . . .
Cl(1) Ca(2) P(3) 84.29(3) yes 8_555 . .
Cl(1) Ca(2) P(3) 79.66(3) yes 8_555 . 5_555
Cl(1) Ca(2) F(1) 20.30(19) yes 8_555 . .
Cl(1) Ca(2) O(1) 105.39(3) yes 8_555 . 5_555
Cl(1) Ca(2) O(2) 146.76(11) yes 8_555 . 3_655
Cl(1) Ca(2) O(3) 73.30(9) yes 8_555 . .
Cl(1) Ca(2) O(3) 123.23(19) yes 8_555 . 6_555
Cl(1) Ca(2) O(3) 84.32(19) yes 8_555 . 9_555
Cl(1) Ca(2) O(3) 93.11(11) yes 8_555 . 10_555
Cl(1) Ca(2) Ca(3) 159.69(19) yes 8_555 . .
P(3) Ca(2) P(3) 162.88(5) yes . . 5_555
P(3) Ca(2) F(1) 83.91(3) yes . . .
P(3) Ca(2) O(1) 169.66(6) yes . . 5_555
P(3) Ca(2) O(2) 69.20(2) yes . . 3_655
P(3) Ca(2) O(3) 29.564(13) yes . . .
P(3) Ca(2) O(3) 107.159(13) yes . . 6_555
P(3) Ca(2) O(3) 107.159(13) yes . . 9_555
P(3) Ca(2) O(3) 29.564(13) yes . . 10_555
P(3) Ca(2) Ca(3) 95.7(2) yes . . .
P(3) Ca(2) F(1) 78.97(2) yes 5_555 . .
P(3) Ca(2) O(1) 27.464(17) yes 5_555 . 5_555
P(3) Ca(2) O(2) 127.93(5) yes 5_555 . 3_655
P(3) Ca(2) O(3) 145.26(3) yes 5_555 . .
P(3) Ca(2) O(3) 77.271(12) yes 5_555 . 6_555
P(3) Ca(2) O(3) 77.271(12) yes 5_555 . 9_555
P(3) Ca(2) O(3) 145.26(3) yes 5_555 . 10_555
P(3) Ca(2) Ca(3) 101.4(2) yes 5_555 . .
F(1) Ca(2) O(1) 106.44(3) yes . . 5_555
F(1) Ca(2) O(2) 153.10(3) yes . . 3_655
F(1) Ca(2) O(3) 82.86(3) yes . . .
F(1) Ca(2) O(3) 103.85(4) yes . . 6_555
F(1) Ca(2) O(3) 103.85(4) yes . . 9_555
F(1) Ca(2) O(3) 82.86(3) yes . . 10_555
F(1) Ca(2) Ca(3) 179.6(2) yes . . .
O(1) Ca(2) O(2) 100.46(5) yes 5_555 . 3_655
O(1) Ca(2) O(3) 149.48(2) yes 5_555 . .
O(1) Ca(2) O(3) 70.865(19) yes 5_555 . 6_555
O(1) Ca(2) O(3) 70.865(19) yes 5_555 . 9_555
O(1) Ca(2) O(3) 149.48(2) yes 5_555 . 10_555
O(1) Ca(2) Ca(3) 73.9(2) yes 5_555 . .
O(2) Ca(2) O(3) 73.81(3) yes 3_655 . .
O(2) Ca(2) O(3) 84.79(4) yes 3_655 . 6_555
O(2) Ca(2) O(3) 84.79(4) yes 3_655 . 9_555
O(2) Ca(2) O(3) 73.81(3) yes 3_655 . 10_555
O(2) Ca(2) Ca(3) 26.5(2) yes 3_655 . .
O(3) Ca(2) O(3) 136.25(2) yes . . 6_555
O(3) Ca(2) O(3) 78.716(18) yes . . 9_555
O(3) Ca(2) O(3) 58.99(2) yes . . 10_555
O(3) Ca(2) Ca(3) 96.8(2) yes . . .
O(3) Ca(2) O(3) 137.59(5) yes 6_555 . 9_555
O(3) Ca(2) O(3) 78.716(18) yes 6_555 . 10_555
O(3) Ca(2) Ca(3) 76.26(8) yes 6_555 . .
O(3) Ca(2) O(3) 136.25(2) yes 9_555 . 10_555
O(3) Ca(2) Ca(3) 76.26(8) yes 9_555 . .
O(3) Ca(2) Ca(3) 96.8(2) yes 10_555 . .
Ca(2) Cl(1) Ca(2) 108.6(2) yes . . 3_555
Ca(2) Cl(1) Ca(2) 108.6(2) yes . . 5_555
Ca(2) Cl(1) Cl(1) 110.30(19) yes . . 7_556
Ca(2) Cl(1) Cl(1) 69.70(19) yes . . 8_555
Ca(2) Cl(1) F(1) 69.70(19) yes . . .
Ca(2) Cl(1) Ca(3) 1.94(3) yes . . .
Ca(2) Cl(1) Ca(3) 109.6(2) yes . . 3_555
Ca(2) Cl(1) Ca(3) 109.6(2) yes . . 5_555
Ca(2) Cl(1) Ca(2) 108.6(2) yes 3_555 . 5_555
Ca(2) Cl(1) Cl(1) 110.30(19) yes 3_555 . 7_556
Ca(2) Cl(1) Cl(1) 69.70(19) yes 3_555 . 8_555
Ca(2) Cl(1) F(1) 69.70(19) yes 3_555 . .
Ca(2) Cl(1) Ca(3) 109.58(19) yes 3_555 . .
Ca(2) Cl(1) Ca(3) 1.94(2) yes 3_555 . 3_555
Ca(2) Cl(1) Ca(3) 109.6(2) yes 3_555 . 5_555
Ca(2) Cl(1) Cl(1) 110.30(19) yes 5_555 . 7_556
Ca(2) Cl(1) Cl(1) 69.70(19) yes 5_555 . 8_555
Ca(2) Cl(1) F(1) 69.70(19) yes 5_555 . .
Ca(2) Cl(1) Ca(3) 109.65(19) yes 5_555 . .
Ca(2) Cl(1) Ca(3) 109.6(2) yes 5_555 . 3_555
Ca(2) Cl(1) Ca(3) 1.94(2) yes 5_555 . 5_555
Cl(1) Cl(1) Cl(1) 180.0000 yes 7_556 . 8_555
Cl(1) Cl(1) F(1) 180.0000 yes 7_556 . .
Cl(1) Cl(1) Ca(3) 108.37(18) yes 7_556 . .
Cl(1) Cl(1) Ca(3) 108.37(18) yes 7_556 . 3_555
Cl(1) Cl(1) Ca(3) 108.37(18) yes 7_556 . 5_555
Cl(1) Cl(1) F(1) 0.0000 yes 8_555 . .
Cl(1) Cl(1) Ca(3) 71.63(18) yes 8_555 . .
Cl(1) Cl(1) Ca(3) 71.63(18) yes 8_555 . 3_555
Cl(1) Cl(1) Ca(3) 71.63(18) yes 8_555 . 5_555
F(1) Cl(1) Ca(3) 71.63(18) yes . . .
F(1) Cl(1) Ca(3) 71.63(18) yes . . 3_555
F(1) Cl(1) Ca(3) 71.63(18) yes . . 5_555
Ca(3) Cl(1) Ca(3) 110.55(19) yes . . 3_555
Ca(3) Cl(1) Ca(3) 110.55(19) yes . . 5_555
Ca(3) Cl(1) Ca(3) 110.5(2) yes 3_555 . 5_555
Ca(1) P(3) Ca(1) 65.064(8) yes 2_655 . 7_665
Ca(1) P(3) Ca(2) 80.54(2) yes 2_655 . .
Ca(1) P(3) Ca(2) 140.310(7) yes 2_655 . 3_555
Ca(1) P(3) O(1) 135.709(14) yes 2_655 . .
Ca(1) P(3) O(2) 47.60(2) yes 2_655 . .
Ca(1) P(3) O(3) 112.39(2) yes 2_655 . .
Ca(1) P(3) O(3) 60.86(2) yes 2_655 . 10_555
Ca(1) P(3) Ca(3) 76.53(7) yes 2_655 . .
Ca(1) P(3) Ca(3) 142.526(14) yes 2_655 . 3_555
Ca(1) P(3) Ca(3) 74.47(6) yes 2_655 . 5_665
Ca(1) P(3) Ca(2) 80.54(2) yes 7_665 . .
Ca(1) P(3) Ca(2) 140.311(7) yes 7_665 . 3_555
Ca(1) P(3) O(1) 135.709(14) yes 7_665 . .
Ca(1) P(3) O(2) 47.60(2) yes 7_665 . .
Ca(1) P(3) O(3) 60.86(2) yes 7_665 . .
Ca(1) P(3) O(3) 112.39(2) yes 7_665 . 10_555
Ca(1) P(3) Ca(3) 76.53(7) yes 7_665 . .
Ca(1) P(3) Ca(3) 142.526(14) yes 7_665 . 3_555
Ca(1) P(3) Ca(3) 74.47(6) yes 7_665 . 5_665
Ca(2) P(3) Ca(2) 77.12(3) yes . . 3_555
Ca(2) P(3) O(1) 133.13(3) yes . . .
Ca(2) P(3) O(2) 115.65(4) yes . . .
Ca(2) P(3) O(3) 53.97(2) yes . . .
Ca(2) P(3) O(3) 53.97(2) yes . . 10_555
Ca(2) P(3) Ca(3) 4.81(9) yes . . .
Ca(2) P(3) Ca(3) 81.51(4) yes . . 3_555
Ca(2) P(3) Ca(3) 150.24(8) yes . . 5_665
Ca(2) P(3) O(1) 56.01(2) yes 3_555 . .
Ca(2) P(3) O(2) 167.23(3) yes 3_555 . .
Ca(2) P(3) O(3) 79.48(2) yes 3_555 . .
Ca(2) P(3) O(3) 79.48(2) yes 3_555 . 10_555
Ca(2) P(3) Ca(3) 81.93(9) yes 3_555 . .
Ca(2) P(3) Ca(3) 4.39(3) yes 3_555 . 3_555
Ca(2) P(3) Ca(3) 132.63(8) yes 3_555 . 5_665
O(1) P(3) O(2) 111.22(3) yes . . .
O(1) P(3) O(3) 111.32(2) yes . . .
O(1) P(3) O(3) 111.32(2) yes . . 10_555
O(1) P(3) Ca(3) 137.94(9) yes . . .
O(1) P(3) Ca(3) 51.62(3) yes . . 3_555
O(1) P(3) Ca(3) 76.62(8) yes . . 5_665
O(2) P(3) O(3) 107.59(2) yes . . .
O(2) P(3) O(3) 107.59(2) yes . . 10_555
O(2) P(3) Ca(3) 110.84(9) yes . . .
O(2) P(3) Ca(3) 162.83(4) yes . . 3_555
O(2) P(3) Ca(3) 34.59(8) yes . . 5_665
O(3) P(3) O(3) 107.61(2) yes . . 10_555
O(3) P(3) Ca(3) 54.43(2) yes . . .
O(3) P(3) Ca(3) 82.01(2) yes . . 3_555
O(3) P(3) Ca(3) 122.47(3) yes . . 5_665
O(3) P(3) Ca(3) 54.43(2) yes 10_555 . .
O(3) P(3) Ca(3) 82.01(2) yes 10_555 . 3_555
O(3) P(3) Ca(3) 122.47(3) yes 10_555 . 5_665
Ca(3) P(3) Ca(3) 86.32(9) yes . . 3_555
Ca(3) P(3) Ca(3) 145.44(12) yes . . 5_665
Ca(3) P(3) Ca(3) 128.24(8) yes 3_555 . 5_665
Ca(2) F(1) Ca(2) 120.00(3) yes . . 3_555
Ca(2) F(1) Ca(2) 120.00(3) yes . . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes . . .
Ca(2) F(1) Cl(1) 90.0000 yes . . 8_555
Ca(2) F(1) Ca(3) 0.04(2) yes . . .
Ca(2) F(1) Ca(3) 120.04(9) yes . . 3_555
Ca(2) F(1) Ca(3) 119.96(9) yes . . 5_555
Ca(2) F(1) Ca(2) 120.00(4) yes 3_555 . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 3_555 . 8_555
Ca(2) F(1) Ca(3) 119.96(4) yes 3_555 . .
Ca(2) F(1) Ca(3) 0.04(4) yes 3_555 . 3_555
Ca(2) F(1) Ca(3) 120.04(10) yes 3_555 . 5_555
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . .
Ca(2) F(1) Cl(1) 90.0000 yes 5_555 . 8_555
Ca(2) F(1) Ca(3) 120.04(4) yes 5_555 . .
Ca(2) F(1) Ca(3) 119.96(10) yes 5_555 . 3_555
Ca(2) F(1) Ca(3) 0.04(10) yes 5_555 . 5_555
Cl(1) F(1) Cl(1) 180.0000 yes . . 8_555
Cl(1) F(1) Ca(3) 90.0000 yes . . .
Cl(1) F(1) Ca(3) 90.0000 yes . . 3_555
Cl(1) F(1) Ca(3) 90.0000 yes . . 5_555
Cl(1) F(1) Ca(3) 90.0000 yes 8_555 . .
Cl(1) F(1) Ca(3) 90.0000 yes 8_555 . 3_555
Cl(1) F(1) Ca(3) 90.0000 yes 8_555 . 5_555
Ca(3) F(1) Ca(3) 120.00(10) yes . . 3_555
Ca(3) F(1) Ca(3) 120.00(10) yes . . 5_555
Ca(3) F(1) Ca(3) 120.00(13) yes 3_555 . 5_555
Ca(1) O(1) Ca(1) 90.31(2) yes . . 8_565
Ca(1) O(1) Ca(2) 101.33(2) yes . . 3_555
Ca(1) O(1) P(3) 130.58(2) yes . . .
Ca(1) O(1) Ca(3) 97.59(5) yes . . 3_555
Ca(1) O(1) Ca(2) 101.33(2) yes 8_565 . 3_555
Ca(1) O(1) P(3) 130.58(2) yes 8_565 . .
Ca(1) O(1) Ca(3) 97.60(5) yes 8_565 . 3_555
Ca(2) O(1) P(3) 96.53(3) yes 3_555 . .
Ca(2) O(1) Ca(3) 5.38(7) yes 3_555 . 3_555
P(3) O(1) Ca(3) 101.90(7) yes . . 3_555
Ca(1) O(2) Ca(1) 89.52(3) yes 2_655 . 7_665
Ca(1) O(2) Ca(2) 113.46(3) yes 2_655 . 5_665
Ca(1) O(2) P(3) 104.77(2) yes 2_655 . .
Ca(1) O(2) Ca(3) 115.41(8) yes 2_655 . 5_665
Ca(1) O(2) Ca(2) 113.46(3) yes 7_665 . 5_665
Ca(1) O(2) P(3) 104.77(2) yes 7_665 . .
Ca(1) O(2) Ca(3) 115.41(8) yes 7_665 . 5_665
Ca(2) O(2) P(3) 124.85(6) yes 5_665 . .
Ca(2) O(2) Ca(3) 3.08(13) yes 5_665 . 5_665
P(3) O(2) Ca(3) 121.77(14) yes . . 5_665
Ca(1) O(3) Ca(2) 99.81(4) yes 7_665 . .
Ca(1) O(3) Ca(2) 101.06(4) yes 7_665 . 2_554
Ca(1) O(3) P(3) 90.72(2) yes 7_665 . .
Ca(1) O(3) Ca(3) 93.95(11) yes 7_665 . .
Ca(1) O(3) Ca(3) 96.84(11) yes 7_665 . 2_554
Ca(2) O(3) Ca(2) 116.18(2) yes . . 2_554
Ca(2) O(3) P(3) 96.46(2) yes . . .
Ca(2) O(3) Ca(3) 5.86(11) yes . . .
Ca(2) O(3) Ca(3) 121.90(3) yes . . 2_554
Ca(2) O(3) P(3) 142.30(4) yes 2_554 . .
Ca(2) O(3) Ca(3) 118.04(3) yes 2_554 . .
Ca(2) O(3) Ca(3) 6.33(6) yes 2_554 . 2_554
P(3) O(3) Ca(3) 96.39(3) yes . . .
P(3) O(3) Ca(3) 138.59(6) yes . . 2_554
Ca(3) O(3) Ca(3) 123.42(4) yes . . 2_554
Ca(2) Ca(3) Cl(1) 18.37(18) yes . . .
Ca(2) Ca(3) Cl(1) 18.37(18) yes . . 8_555
Ca(2) Ca(3) P(3) 79.5(2) yes . . .
Ca(2) Ca(3) P(3) 174.0(2) yes . . 3_655
Ca(2) Ca(3) P(3) 74.2(2) yes . . 5_555
Ca(2) Ca(3) F(1) 0.3(2) yes . . .
Ca(2) Ca(3) O(1) 100.7(2) yes . . 5_555
Ca(2) Ca(3) O(2) 150.4(2) yes . . 3_655
Ca(2) Ca(3) O(3) 77.3(2) yes . . .
Ca(2) Ca(3) O(3) 97.42(14) yes . . 6_555
Ca(2) Ca(3) O(3) 97.42(14) yes . . 9_555
Ca(2) Ca(3) O(3) 77.3(2) yes . . 10_555
Cl(1) Ca(3) Cl(1) 36.7(2) yes . . 8_555
Cl(1) Ca(3) P(3) 79.70(9) yes . . .
Cl(1) Ca(3) P(3) 160.62(17) yes . . 3_655
Cl(1) Ca(3) P(3) 75.35(8) yes . . 5_555
Cl(1) Ca(3) F(1) 18.37(18) yes . . .
Cl(1) Ca(3) O(1) 100.45(10) yes . . 5_555
Cl(1) Ca(3) O(2) 145.33(10) yes . . 3_655
Cl(1) Ca(3) O(3) 86.53(16) yes . . .
Cl(1) Ca(3) O(3) 79.87(19) yes . . 6_555
Cl(1) Ca(3) O(3) 115.1(2) yes . . 9_555
Cl(1) Ca(3) O(3) 68.56(12) yes . . 10_555
Cl(1) Ca(3) P(3) 79.70(9) yes 8_555 . .
Cl(1) Ca(3) P(3) 160.62(17) yes 8_555 . 3_655
Cl(1) Ca(3) P(3) 75.35(8) yes 8_555 . 5_555
Cl(1) Ca(3) F(1) 18.37(18) yes 8_555 . .
Cl(1) Ca(3) O(1) 100.45(10) yes 8_555 . 5_555
Cl(1) Ca(3) O(2) 145.33(10) yes 8_555 . 3_655
Cl(1) Ca(3) O(3) 68.56(12) yes 8_555 . .
Cl(1) Ca(3) O(3) 115.1(2) yes 8_555 . 6_555
Cl(1) Ca(3) O(3) 79.87(19) yes 8_555 . 9_555
Cl(1) Ca(3) O(3) 86.53(16) yes 8_555 . 10_555
P(3) Ca(3) P(3) 94.56(8) yes . . 3_655
P(3) Ca(3) P(3) 153.68(17) yes . . 5_555
P(3) Ca(3) F(1) 79.14(9) yes . . .
P(3) Ca(3) O(1) 179.84(12) yes . . 5_555
P(3) Ca(3) O(2) 70.92(4) yes . . 3_655
P(3) Ca(3) O(3) 29.18(2) yes . . .
P(3) Ca(3) O(3) 107.30(3) yes . . 6_555
P(3) Ca(3) O(3) 107.30(3) yes . . 9_555
P(3) Ca(3) O(3) 29.18(2) yes . . 10_555
P(3) Ca(3) P(3) 111.76(9) yes 3_655 . 5_555
P(3) Ca(3) F(1) 173.70(4) yes 3_655 . .
P(3) Ca(3) O(1) 85.28(11) yes 3_655 . 5_555
P(3) Ca(3) O(2) 23.64(6) yes 3_655 . 3_655
P(3) Ca(3) O(3) 97.49(10) yes 3_655 . .
P(3) Ca(3) O(3) 84.29(12) yes 3_655 . 6_555
P(3) Ca(3) O(3) 84.29(12) yes 3_655 . 9_555
P(3) Ca(3) O(3) 97.49(10) yes 3_655 . 10_555
P(3) Ca(3) F(1) 74.54(8) yes 5_555 . .
P(3) Ca(3) O(1) 26.48(2) yes 5_555 . 5_555
P(3) Ca(3) O(2) 135.40(15) yes 5_555 . 3_655
P(3) Ca(3) O(3) 139.07(13) yes 5_555 . .
P(3) Ca(3) O(3) 76.54(3) yes 5_555 . 6_555
P(3) Ca(3) O(3) 76.54(3) yes 5_555 . 9_555
P(3) Ca(3) O(3) 139.07(13) yes 5_555 . 10_555
F(1) Ca(3) O(1) 101.02(10) yes . . 5_555
F(1) Ca(3) O(2) 150.06(8) yes . . 3_655
F(1) Ca(3) O(3) 77.03(11) yes . . .
F(1) Ca(3) O(3) 97.51(12) yes . . 6_555
F(1) Ca(3) O(3) 97.51(12) yes . . 9_555
F(1) Ca(3) O(3) 77.03(11) yes . . 10_555
O(1) Ca(3) O(2) 108.92(17) yes 5_555 . 3_655
O(1) Ca(3) O(3) 150.84(2) yes 5_555 . .
O(1) Ca(3) O(3) 72.69(4) yes 5_555 . 6_555
O(1) Ca(3) O(3) 72.69(4) yes 5_555 . 9_555
O(1) Ca(3) O(3) 150.84(2) yes 5_555 . 10_555
O(2) Ca(3) O(3) 76.84(6) yes 3_655 . .
O(2) Ca(3) O(3) 91.45(12) yes 3_655 . 6_555
O(2) Ca(3) O(3) 91.45(12) yes 3_655 . 9_555
O(2) Ca(3) O(3) 76.84(6) yes 3_655 . 10_555
O(3) Ca(3) O(3) 136.44(5) yes . . 6_555
O(3) Ca(3) O(3) 78.68(2) yes . . 9_555
O(3) Ca(3) O(3) 57.86(4) yes . . 10_555
O(3) Ca(3) O(3) 144.26(11) yes 6_555 . 9_555
O(3) Ca(3) O(3) 78.68(2) yes 6_555 . 10_555
O(3) Ca(3) O(3) 136.44(5) yes 9_555 . 10_555

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ca(1) Ca(1) P(3) Ca(2) 83.901(8) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(3) O(1) -130.83(3) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(3) O(2) -54.38(3) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(3) O(3) 39.43(2) ? 8_564 . 2_554 2_554
Ca(1) Ca(1) P(3) Ca(3) 81.21(2) ? 8_564 . 2_554 2_554
P(3) Ca(1) Ca(1) P(3) -119.999(8) ? 2_554 . 8_564 4_664
P(3) Ca(1) Ca(1) P(3) 120.000(9) ? 2_554 . 8_564 6_564
P(3) Ca(1) Ca(1) O(2) 32.07(2) ? 2_554 . 8_564 2_554
P(3) Ca(1) Ca(1) O(2) -87.933(19) ? 2_554 . 8_564 4_664
P(3) Ca(1) Ca(1) O(2) 152.07(2) ? 2_554 . 8_564 6_564
P(3) Ca(1) Ca(1) O(3) -18.971(15) ? 2_554 . 8_564 2_554
P(3) Ca(1) Ca(1) O(3) -138.972(12) ? 2_554 . 8_564 4_664
P(3) Ca(1) Ca(1) O(3) 101.027(11) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) P(3) Ca(2) 83.902(17) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(3) O(1) -130.83(2) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(3) O(2) -54.38(3) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(3) O(3) 39.426(19) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(3) Ca(3) 81.21(5) ? 8_564 . 4_664 4_664
Ca(1) Ca(1) P(3) O(3) 137.75(2) ? 8_564 . 4_664 7_665
P(3) Ca(1) Ca(1) P(3) 119.999(8) ? 4_664 . 8_564 2_554
P(3) Ca(1) Ca(1) P(3) -120.001(7) ? 4_664 . 8_564 6_564
P(3) Ca(1) Ca(1) O(2) 152.06(2) ? 4_664 . 8_564 2_554
P(3) Ca(1) Ca(1) O(2) 32.066(18) ? 4_664 . 8_564 4_664
P(3) Ca(1) Ca(1) O(2) -87.93(2) ? 4_664 . 8_564 6_564
P(3) Ca(1) Ca(1) O(3) 101.028(14) ? 4_664 . 8_564 2_554
P(3) Ca(1) Ca(1) O(3) -18.972(10) ? 4_664 . 8_564 4_664
P(3) Ca(1) Ca(1) O(3) -138.974(10) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) P(3) Ca(2) 83.903(10) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(3) O(1) -130.83(4) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(3) O(2) -54.38(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(3) O(3) 39.43(2) ? 8_564 . 6_564 6_564
Ca(1) Ca(1) P(3) Ca(3) 81.21(3) ? 8_564 . 6_564 6_564
P(3) Ca(1) Ca(1) P(3) -120.000(9) ? 6_564 . 8_564 2_554
P(3) Ca(1) Ca(1) P(3) 120.001(7) ? 6_564 . 8_564 4_664
P(3) Ca(1) Ca(1) O(2) -87.93(2) ? 6_564 . 8_564 2_554
P(3) Ca(1) Ca(1) O(2) 152.067(18) ? 6_564 . 8_564 4_664
P(3) Ca(1) Ca(1) O(2) 32.07(2) ? 6_564 . 8_564 6_564
P(3) Ca(1) Ca(1) O(3) -138.972(14) ? 6_564 . 8_564 2_554
P(3) Ca(1) Ca(1) O(3) 101.028(11) ? 6_564 . 8_564 4_664
P(3) Ca(1) Ca(1) O(3) -18.973(10) ? 6_564 . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) 179.996093(2) ? 8_564 . . 8_565
Ca(1) Ca(1) O(1) P(3) 30.54(4) ? 8_564 . . .
Ca(1) Ca(1) O(1) Ca(2) -78.38(3) ? 8_564 . . 3_555
Ca(1) Ca(1) O(1) Ca(3) -82.30(5) ? 8_564 . . 3_555
O(1) Ca(1) Ca(1) P(3) 65.40(2) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) P(3) -54.60(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) P(3) -174.60(2) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) 97.47(3) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -22.53(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -142.53(3) ? . . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 46.43(2) ? . . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) -73.57(2) ? . . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 166.43(2) ? . . 8_564 6_564
Ca(1) Ca(1) O(1) Ca(1) -179.9961610(10) ? 8_564 . 3_665 8_565
Ca(1) Ca(1) O(1) P(3) 30.55(7) ? 8_564 . 3_665 3_665
O(1) Ca(1) Ca(1) P(3) -174.60(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) P(3) 65.40(2) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) P(3) -54.60(2) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -142.54(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) 97.46(3) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) -22.54(4) ? 3_665 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) 166.42(3) ? 3_665 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 46.42(3) ? 3_665 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) -73.58(3) ? 3_665 . 8_564 6_564
Ca(1) Ca(1) O(1) P(3) 30.54(6) ? 8_564 . 5_565 5_565
O(1) Ca(1) Ca(1) P(3) -54.60(2) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) P(3) -174.599(19) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) P(3) 65.401(19) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(2) -22.53(3) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(2) -142.53(2) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(2) 97.47(3) ? 5_565 . 8_564 6_564
O(1) Ca(1) Ca(1) O(3) -73.57(2) ? 5_565 . 8_564 2_554
O(1) Ca(1) Ca(1) O(3) 166.43(2) ? 5_565 . 8_564 4_664
O(1) Ca(1) Ca(1) O(3) 46.43(2) ? 5_565 . 8_564 6_564
Ca(1) Ca(1) O(2) P(3) 105.16(4) ? 8_564 . 2_554 2_554
O(2) Ca(1) Ca(1) P(3) -32.07(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) P(3) -152.06(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) P(3) 87.93(2) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 2_554 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) -51.04(2) ? 2_554 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -171.04(2) ? 2_554 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) 68.96(2) ? 2_554 . 8_564 6_564
Ca(1) Ca(1) O(2) P(3) 105.16(3) ? 8_564 . 4_664 4_664
O(2) Ca(1) Ca(1) P(3) 87.933(19) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) P(3) -32.066(18) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) P(3) -152.067(18) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 4_664 . 8_564 6_564
O(2) Ca(1) Ca(1) O(3) 68.96(2) ? 4_664 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) -51.04(2) ? 4_664 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -171.04(2) ? 4_664 . 8_564 6_564
Ca(1) Ca(1) O(2) P(3) 105.16(2) ? 8_564 . 6_564 6_564
O(2) Ca(1) Ca(1) P(3) -152.07(2) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) P(3) 87.93(2) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) P(3) -32.07(2) ? 6_564 . 8_564 6_564
O(2) Ca(1) Ca(1) O(2) -120.00(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(2) 120.00(3) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -171.04(3) ? 6_564 . 8_564 2_554
O(2) Ca(1) Ca(1) O(3) 68.96(3) ? 6_564 . 8_564 4_664
O(2) Ca(1) Ca(1) O(3) -51.04(3) ? 6_564 . 8_564 6_564
O(3) Ca(1) Ca(1) P(3) 138.971(12) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) P(3) 18.972(10) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) P(3) -101.029(11) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 171.04(2) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 51.04(2) ? 7_665 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) -68.96(3) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 120.000(16) ? 7_665 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -120.002(13) ? 7_665 . 8_564 6_564
O(3) Ca(1) Ca(1) P(3) -101.028(11) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) P(3) 138.973(10) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) P(3) 18.972(10) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) -68.96(2) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) 171.04(2) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 51.04(3) ? 9_565 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) -120.000(16) ? 9_565 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) 120.000(13) ? 9_565 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) -0.001(11) ? 9_565 . 8_564 6_564
Ca(1) Ca(1) O(3) Ca(2) 61.53(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) P(3) -35.16(2) ? 8_564 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(3) 61.30(5) ? 8_564 . 11_555 2_554
O(3) Ca(1) Ca(1) P(3) 18.973(15) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) P(3) -101.026(14) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) P(3) 138.973(14) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(2) 51.04(2) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(2) -68.96(2) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(2) 171.04(3) ? 11_555 . 8_564 6_564
O(3) Ca(1) Ca(1) O(3) 0.001(16) ? 11_555 . 8_564 2_554
O(3) Ca(1) Ca(1) O(3) -119.999(16) ? 11_555 . 8_564 4_664
O(3) Ca(1) Ca(1) O(3) 120.000(16) ? 11_555 . 8_564 6_564
Ca(1) Ca(1) P(3) Ca(2) -96.096(8) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(3) O(1) 49.17(3) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(3) O(2) 125.63(3) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(3) O(3) -140.57(2) ? 8_565 . 2_554 2_554
Ca(1) Ca(1) P(3) Ca(3) -98.79(2) ? 8_565 . 2_554 2_554
P(3) Ca(1) Ca(1) O(1) 65.40(2) ? 2_554 . 8_565 .
P(3) Ca(1) Ca(1) O(1) -174.60(3) ? 2_554 . 8_565 3_665
P(3) Ca(1) Ca(1) O(1) -54.60(2) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) P(3) Ca(2) -96.098(17) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(3) O(1) 49.17(2) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(3) O(2) 125.62(3) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(3) O(3) -140.574(19) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(3) Ca(3) -98.79(5) ? 8_565 . 4_664 4_664
Ca(1) Ca(1) P(3) O(3) -42.25(2) ? 8_565 . 4_664 7_665
P(3) Ca(1) Ca(1) O(1) -54.60(2) ? 4_664 . 8_565 .
P(3) Ca(1) Ca(1) O(1) 65.40(2) ? 4_664 . 8_565 3_665
P(3) Ca(1) Ca(1) O(1) -174.599(19) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) P(3) Ca(2) -96.100(10) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(3) O(1) 49.17(4) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(3) O(2) 125.62(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(3) O(3) -140.58(2) ? 8_565 . 6_564 6_564
Ca(1) Ca(1) P(3) Ca(3) -98.79(3) ? 8_565 . 6_564 6_564
P(3) Ca(1) Ca(1) O(1) -174.60(2) ? 6_564 . 8_565 .
P(3) Ca(1) Ca(1) O(1) -54.60(2) ? 6_564 . 8_565 3_665
P(3) Ca(1) Ca(1) O(1) 65.402(19) ? 6_564 . 8_565 5_565
Ca(1) Ca(1) O(1) P(3) -149.45(4) ? 8_565 . . .
Ca(1) Ca(1) O(1) Ca(2) 101.63(3) ? 8_565 . . 3_555
Ca(1) Ca(1) O(1) Ca(3) 97.71(5) ? 8_565 . . 3_555
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? . . 8_565 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(2) ? . . 8_565 5_565
Ca(1) Ca(1) O(1) P(3) -149.45(7) ? 8_565 . 3_665 3_665
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? 3_665 . 8_565 .
O(1) Ca(1) Ca(1) O(1) 120.00(3) ? 3_665 . 8_565 5_565
Ca(1) Ca(1) O(1) P(3) -149.46(6) ? 8_565 . 5_565 5_565
O(1) Ca(1) Ca(1) O(1) 120.00(2) ? 5_565 . 8_565 .
O(1) Ca(1) Ca(1) O(1) -120.00(3) ? 5_565 . 8_565 3_665
Ca(1) Ca(1) O(2) P(3) -74.84(4) ? 8_565 . 2_554 2_554
O(2) Ca(1) Ca(1) O(1) 97.46(3) ? 2_554 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -142.54(3) ? 2_554 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -22.54(3) ? 2_554 . 8_565 5_565
Ca(1) Ca(1) O(2) P(3) -74.84(3) ? 8_565 . 4_664 4_664
O(2) Ca(1) Ca(1) O(1) -22.54(2) ? 4_664 . 8_565 .
O(2) Ca(1) Ca(1) O(1) 97.46(3) ? 4_664 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) -142.53(2) ? 4_664 . 8_565 5_565
Ca(1) Ca(1) O(2) P(3) -74.84(2) ? 8_565 . 6_564 6_564
O(2) Ca(1) Ca(1) O(1) -142.53(3) ? 6_564 . 8_565 .
O(2) Ca(1) Ca(1) O(1) -22.53(4) ? 6_564 . 8_565 3_665
O(2) Ca(1) Ca(1) O(1) 97.47(3) ? 6_564 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) -73.57(2) ? 7_665 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 46.43(3) ? 7_665 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 166.43(2) ? 7_665 . 8_565 5_565
O(3) Ca(1) Ca(1) O(1) 166.43(2) ? 9_565 . 8_565 .
O(3) Ca(1) Ca(1) O(1) -73.57(3) ? 9_565 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) 46.43(2) ? 9_565 . 8_565 5_565
Ca(1) Ca(1) O(3) Ca(2) -118.47(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) P(3) 144.85(2) ? 8_565 . 11_555 2_554
Ca(1) Ca(1) O(3) Ca(3) -118.70(5) ? 8_565 . 11_555 2_554
O(3) Ca(1) Ca(1) O(1) 46.43(2) ? 11_555 . 8_565 .
O(3) Ca(1) Ca(1) O(1) 166.43(3) ? 11_555 . 8_565 3_665
O(3) Ca(1) Ca(1) O(1) -73.57(2) ? 11_555 . 8_565 5_565
P(3) Ca(1) P(3) Ca(2) 130.935(17) ? 2_554 . 4_664 4_664
P(3) Ca(1) P(3) O(1) -83.80(2) ? 2_554 . 4_664 4_664
P(3) Ca(1) P(3) O(2) -7.34(3) ? 2_554 . 4_664 4_664
P(3) Ca(1) P(3) O(3) 86.46(2) ? 2_554 . 4_664 4_664
P(3) Ca(1) P(3) Ca(3) 128.24(5) ? 2_554 . 4_664 4_664
P(3) Ca(1) P(3) O(3) -175.21(2) ? 2_554 . 4_664 7_665
P(3) Ca(1) P(3) Ca(2) 36.869(9) ? 4_664 . 2_554 2_554
P(3) Ca(1) P(3) O(1) -177.86(3) ? 4_664 . 2_554 2_554
P(3) Ca(1) P(3) O(2) -101.41(3) ? 4_664 . 2_554 2_554
P(3) Ca(1) P(3) O(3) -7.61(2) ? 4_664 . 2_554 2_554
P(3) Ca(1) P(3) Ca(3) 34.18(2) ? 4_664 . 2_554 2_554
P(3) Ca(1) P(3) Ca(2) 36.870(11) ? 2_554 . 6_564 6_564
P(3) Ca(1) P(3) O(1) -177.86(3) ? 2_554 . 6_564 6_564
P(3) Ca(1) P(3) O(2) -101.41(2) ? 2_554 . 6_564 6_564
P(3) Ca(1) P(3) O(3) -7.61(2) ? 2_554 . 6_564 6_564
P(3) Ca(1) P(3) Ca(3) 34.18(3) ? 2_554 . 6_564 6_564
P(3) Ca(1) P(3) Ca(2) 130.934(9) ? 6_564 . 2_554 2_554
P(3) Ca(1) P(3) O(1) -83.80(3) ? 6_564 . 2_554 2_554
P(3) Ca(1) P(3) O(2) -7.34(3) ? 6_564 . 2_554 2_554
P(3) Ca(1) P(3) O(3) 86.46(2) ? 6_564 . 2_554 2_554
P(3) Ca(1) P(3) Ca(3) 128.24(2) ? 6_564 . 2_554 2_554
P(3) Ca(1) O(1) Ca(1) -129.331(15) ? 2_554 . . 8_565
P(3) Ca(1) O(1) P(3) 81.22(3) ? 2_554 . . .
P(3) Ca(1) O(1) Ca(2) -27.71(2) ? 2_554 . . 3_555
P(3) Ca(1) O(1) Ca(3) -31.63(5) ? 2_554 . . 3_555
O(1) Ca(1) P(3) Ca(2) -55.781(19) ? . . 2_554 2_554
O(1) Ca(1) P(3) O(1) 89.49(3) ? . . 2_554 2_554
O(1) Ca(1) P(3) O(2) 165.94(3) ? . . 2_554 2_554
O(1) Ca(1) P(3) O(3) -100.26(3) ? . . 2_554 2_554
O(1) Ca(1) P(3) Ca(3) -58.47(2) ? . . 2_554 2_554
P(3) Ca(1) O(1) Ca(1) 20.17(10) ? 2_554 . 3_665 8_565
P(3) Ca(1) O(1) P(3) -129.28(4) ? 2_554 . 3_665 3_665
O(1) Ca(1) P(3) Ca(2) -112.86(8) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(3) O(1) 32.41(9) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(3) O(2) 108.86(9) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(3) O(3) -157.33(8) ? 3_665 . 2_554 2_554
O(1) Ca(1) P(3) Ca(3) -115.55(9) ? 3_665 . 2_554 2_554
P(3) Ca(1) O(1) Ca(1) 136.552(14) ? 2_554 . 5_565 8_565
P(3) Ca(1) O(1) P(3) -12.90(4) ? 2_554 . 5_565 5_565
O(1) Ca(1) P(3) Ca(2) -131.211(18) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(3) O(1) 14.06(3) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(3) O(2) 90.51(3) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(3) O(3) -175.69(3) ? 5_565 . 2_554 2_554
O(1) Ca(1) P(3) Ca(3) -133.90(2) ? 5_565 . 2_554 2_554
O(2) Ca(1) P(3) Ca(2) 138.28(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(3) O(1) -76.45(4) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(3) O(3) 93.80(3) ? 2_554 . 2_554 2_554
O(2) Ca(1) P(3) Ca(3) 135.59(3) ? 2_554 . 2_554 2_554
P(3) Ca(1) O(2) P(3) 172.00(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) Ca(2) 33.160(17) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(3) O(1) 178.43(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(3) O(2) -105.12(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(3) O(3) -11.32(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(3) Ca(3) 30.47(2) ? 4_664 . 2_554 2_554
P(3) Ca(1) O(2) P(3) 81.616(19) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(3) Ca(2) 103.56(2) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(3) O(1) -111.17(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(3) O(2) -34.72(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(3) O(3) 59.08(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(3) Ca(3) 100.87(2) ? 6_564 . 2_554 2_554
O(3) Ca(1) P(3) Ca(2) 34.180(16) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(3) O(1) 179.45(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(3) O(2) -104.10(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(3) O(3) -10.30(3) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(3) Ca(3) 31.49(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) P(3) Ca(2) 159.423(15) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(3) O(1) -55.31(3) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(3) O(2) 21.15(3) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(3) O(3) 114.95(2) ? 9_565 . 2_554 2_554
O(3) Ca(1) P(3) Ca(3) 156.73(2) ? 9_565 . 2_554 2_554
P(3) Ca(1) O(3) Ca(2) 96.69(3) ? 2_554 . 11_555 2_554
P(3) Ca(1) O(3) Ca(3) 96.45(5) ? 2_554 . 11_555 2_554
O(3) Ca(1) P(3) Ca(2) -53.85(2) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(3) O(1) 91.42(4) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(3) O(2) 167.87(4) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(3) O(3) -98.33(4) ? 11_555 . 2_554 2_554
O(3) Ca(1) P(3) Ca(3) -56.54(3) ? 11_555 . 2_554 2_554
P(3) Ca(1) P(3) Ca(2) 130.935(11) ? 4_664 . 6_564 6_564
P(3) Ca(1) P(3) O(1) -83.80(4) ? 4_664 . 6_564 6_564
P(3) Ca(1) P(3) O(2) -7.34(2) ? 4_664 . 6_564 6_564
P(3) Ca(1) P(3) O(3) 86.46(2) ? 4_664 . 6_564 6_564
P(3) Ca(1) P(3) Ca(3) 128.24(3) ? 4_664 . 6_564 6_564
P(3) Ca(1) P(3) Ca(2) 36.869(17) ? 6_564 . 4_664 4_664
P(3) Ca(1) P(3) O(1) -177.86(2) ? 6_564 . 4_664 4_664
P(3) Ca(1) P(3) O(2) -101.41(3) ? 6_564 . 4_664 4_664
P(3) Ca(1) P(3) O(3) -7.61(2) ? 6_564 . 4_664 4_664
P(3) Ca(1) P(3) Ca(3) 34.18(5) ? 6_564 . 4_664 4_664
P(3) Ca(1) P(3) O(3) 90.72(2) ? 6_564 . 4_664 7_665
P(3) Ca(1) O(1) Ca(1) 136.551(16) ? 4_664 . . 8_565
P(3) Ca(1) O(1) P(3) -12.90(3) ? 4_664 . . .
P(3) Ca(1) O(1) Ca(2) -121.82(2) ? 4_664 . . 3_555
P(3) Ca(1) O(1) Ca(3) -125.74(5) ? 4_664 . . 3_555
O(1) Ca(1) P(3) Ca(2) -131.21(2) ? . . 4_664 4_664
O(1) Ca(1) P(3) O(1) 14.05(2) ? . . 4_664 4_664
O(1) Ca(1) P(3) O(2) 90.51(3) ? . . 4_664 4_664
O(1) Ca(1) P(3) O(3) -175.69(2) ? . . 4_664 4_664
O(1) Ca(1) P(3) Ca(3) -133.91(5) ? . . 4_664 4_664
O(1) Ca(1) P(3) O(3) -77.36(2) ? . . 4_664 7_665
P(3) Ca(1) O(1) Ca(1) -129.327(19) ? 4_664 . 3_665 8_565
P(3) Ca(1) O(1) P(3) 81.22(5) ? 4_664 . 3_665 3_665
O(1) Ca(1) P(3) Ca(2) -55.78(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(3) O(1) 89.48(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(3) O(2) 165.94(3) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(3) O(3) -100.26(2) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(3) Ca(3) -58.48(5) ? 3_665 . 4_664 4_664
O(1) Ca(1) P(3) O(3) -1.93(2) ? 3_665 . 4_664 7_665
P(3) Ca(1) O(1) Ca(1) 20.18(6) ? 4_664 . 5_565 8_565
P(3) Ca(1) O(1) P(3) -129.27(4) ? 4_664 . 5_565 5_565
O(1) Ca(1) P(3) Ca(2) -112.87(5) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(3) O(1) 32.40(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(3) O(2) 108.85(6) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(3) O(3) -157.35(5) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(3) Ca(3) -115.56(7) ? 5_565 . 4_664 4_664
O(1) Ca(1) P(3) O(3) -59.02(6) ? 5_565 . 4_664 7_665
P(3) Ca(1) O(2) P(3) 81.61(2) ? 4_664 . 2_554 2_554
O(2) Ca(1) P(3) Ca(2) 103.56(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) O(1) -111.17(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) O(2) -34.72(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) O(3) 59.09(2) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) Ca(3) 100.87(5) ? 2_554 . 4_664 4_664
O(2) Ca(1) P(3) O(3) 157.42(2) ? 2_554 . 4_664 7_665
O(2) Ca(1) P(3) Ca(2) 138.28(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(3) O(1) -76.45(4) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(3) O(3) 93.80(3) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(3) Ca(3) 135.59(6) ? 4_664 . 4_664 4_664
O(2) Ca(1) P(3) O(3) -167.87(4) ? 4_664 . 4_664 7_665
P(3) Ca(1) O(2) P(3) 172.00(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) Ca(2) 33.160(19) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) O(1) 178.43(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) O(2) -105.12(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) O(3) -11.32(2) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) Ca(3) 30.47(5) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) O(3) 87.01(2) ? 6_564 . 4_664 7_665
O(3) Ca(1) P(3) Ca(2) -53.85(2) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(3) O(1) 91.41(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(3) O(2) 167.87(4) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(3) O(3) -98.33(3) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(3) Ca(3) -56.55(5) ? 7_665 . 4_664 4_664
O(3) Ca(1) P(3) Ca(2) 34.18(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(3) O(1) 179.45(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(3) O(2) -104.10(3) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(3) O(3) -10.29(2) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(3) Ca(3) 31.49(5) ? 9_565 . 4_664 4_664
O(3) Ca(1) P(3) O(3) 88.03(2) ? 9_565 . 4_664 7_665
P(3) Ca(1) O(3) Ca(2) 5.51(2) ? 4_664 . 11_555 2_554
P(3) Ca(1) O(3) P(3) -91.18(2) ? 4_664 . 11_555 2_554
P(3) Ca(1) O(3) Ca(3) 5.28(5) ? 4_664 . 11_555 2_554
O(3) Ca(1) P(3) Ca(2) 159.42(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(3) O(1) -55.31(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(3) O(2) 21.14(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(3) O(3) 114.95(2) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(3) Ca(3) 156.73(5) ? 11_555 . 4_664 4_664
O(3) Ca(1) P(3) O(3) -146.72(2) ? 11_555 . 4_664 7_665
P(3) Ca(1) O(1) Ca(1) 20.18(9) ? 6_564 . . 8_565
P(3) Ca(1) O(1) P(3) -129.27(5) ? 6_564 . . .
P(3) Ca(1) O(1) Ca(2) 121.81(6) ? 6_564 . . 3_555
P(3) Ca(1) O(1) Ca(3) 117.89(8) ? 6_564 . . 3_555
O(1) Ca(1) P(3) Ca(2) -112.87(7) ? . . 6_564 6_564
O(1) Ca(1) P(3) O(1) 32.39(9) ? . . 6_564 6_564
O(1) Ca(1) P(3) O(2) 108.85(8) ? . . 6_564 6_564
O(1) Ca(1) P(3) O(3) -157.35(8) ? . . 6_564 6_564
O(1) Ca(1) P(3) Ca(3) -115.57(8) ? . . 6_564 6_564
P(3) Ca(1) O(1) Ca(1) 136.55(2) ? 6_564 . 3_665 8_565
P(3) Ca(1) O(1) P(3) -12.90(5) ? 6_564 . 3_665 3_665
O(1) Ca(1) P(3) Ca(2) -131.21(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(3) O(1) 14.05(4) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(3) O(2) 90.51(2) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(3) O(3) -175.69(3) ? 3_665 . 6_564 6_564
O(1) Ca(1) P(3) Ca(3) -133.91(4) ? 3_665 . 6_564 6_564
P(3) Ca(1) O(1) Ca(1) -129.328(13) ? 6_564 . 5_565 8_565
P(3) Ca(1) O(1) P(3) 81.22(4) ? 6_564 . 5_565 5_565
O(1) Ca(1) P(3) Ca(2) -55.783(15) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(3) O(1) 89.48(4) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(3) O(2) 165.94(2) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(3) O(3) -100.26(3) ? 5_565 . 6_564 6_564
O(1) Ca(1) P(3) Ca(3) -58.48(3) ? 5_565 . 6_564 6_564
P(3) Ca(1) O(2) P(3) 172.00(3) ? 6_564 . 2_554 2_554
O(2) Ca(1) P(3) Ca(2) 33.16(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(3) O(1) 178.43(4) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(3) O(2) -105.12(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(3) O(3) -11.31(3) ? 2_554 . 6_564 6_564
O(2) Ca(1) P(3) Ca(3) 30.47(4) ? 2_554 . 6_564 6_564
P(3) Ca(1) O(2) P(3) 81.61(3) ? 6_564 . 4_664 4_664
O(2) Ca(1) P(3) Ca(2) 103.562(17) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) O(1) -111.17(4) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) O(2) -34.72(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) O(3) 59.09(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) Ca(3) 100.87(3) ? 4_664 . 6_564 6_564
O(2) Ca(1) P(3) Ca(2) 138.28(2) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(3) O(1) -76.46(4) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(3) O(3) 93.80(3) ? 6_564 . 6_564 6_564
O(2) Ca(1) P(3) Ca(3) 135.59(4) ? 6_564 . 6_564 6_564
O(3) Ca(1) P(3) Ca(2) 159.423(16) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(3) O(1) -55.31(4) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(3) O(2) 21.14(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(3) O(3) 114.95(3) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(3) Ca(3) 156.73(3) ? 7_665 . 6_564 6_564
O(3) Ca(1) P(3) Ca(2) -53.85(2) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(3) O(1) 91.41(4) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(3) O(2) 167.87(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(3) O(3) -98.33(3) ? 9_565 . 6_564 6_564
O(3) Ca(1) P(3) Ca(3) -56.55(4) ? 9_565 . 6_564 6_564
P(3) Ca(1) O(3) Ca(2) 102.33(2) ? 6_564 . 11_555 2_554
P(3) Ca(1) O(3) P(3) 5.64(3) ? 6_564 . 11_555 2_554
P(3) Ca(1) O(3) Ca(3) 102.09(5) ? 6_564 . 11_555 2_554
O(3) Ca(1) P(3) Ca(2) 34.182(19) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(3) O(1) 179.45(4) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(3) O(2) -104.10(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(3) O(3) -10.29(3) ? 11_555 . 6_564 6_564
O(3) Ca(1) P(3) Ca(3) 31.49(3) ? 11_555 . 6_564 6_564
O(1) Ca(1) O(1) Ca(1) -39.16(2) ? . . 3_665 8_565
O(1) Ca(1) O(1) P(3) 171.39(6) ? . . 3_665 3_665
O(1) Ca(1) O(1) Ca(1) 39.16(2) ? 3_665 . . 8_565
O(1) Ca(1) O(1) P(3) -110.30(4) ? 3_665 . . .
O(1) Ca(1) O(1) Ca(2) 140.78(3) ? 3_665 . . 3_555
O(1) Ca(1) O(1) Ca(3) 136.86(5) ? 3_665 . . 3_555
O(1) Ca(1) O(1) Ca(1) 39.156(16) ? . . 5_565 8_565
O(1) Ca(1) O(1) P(3) -110.30(5) ? . . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) -39.157(17) ? 5_565 . . 8_565
O(1) Ca(1) O(1) P(3) 171.39(3) ? 5_565 . . .
O(1) Ca(1) O(1) Ca(2) 62.47(2) ? 5_565 . . 3_555
O(1) Ca(1) O(1) Ca(3) 58.55(5) ? 5_565 . . 3_555
O(1) Ca(1) O(2) P(3) -16.95(4) ? . . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) -121.49(2) ? 2_554 . . 8_565
O(2) Ca(1) O(1) P(3) 89.06(4) ? 2_554 . . .
O(2) Ca(1) O(1) Ca(2) -19.86(3) ? 2_554 . . 3_555
O(2) Ca(1) O(1) Ca(3) -23.78(6) ? 2_554 . . 3_555
O(1) Ca(1) O(2) P(3) -90.53(3) ? . . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 164.20(2) ? 4_664 . . 8_565
O(2) Ca(1) O(1) P(3) 14.74(3) ? 4_664 . . .
O(2) Ca(1) O(1) Ca(2) -94.18(2) ? 4_664 . . 3_555
O(2) Ca(1) O(1) Ca(3) -98.10(5) ? 4_664 . . 3_555
O(1) Ca(1) O(2) P(3) -150.55(3) ? . . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 102.66(4) ? 6_564 . . 8_565
O(2) Ca(1) O(1) P(3) -46.79(5) ? 6_564 . . .
O(2) Ca(1) O(1) Ca(2) -155.72(3) ? 6_564 . . 3_555
O(2) Ca(1) O(1) Ca(3) -159.64(6) ? 6_564 . . 3_555
O(3) Ca(1) O(1) Ca(1) 108.796(19) ? 7_665 . . 8_565
O(3) Ca(1) O(1) P(3) -40.66(3) ? 7_665 . . .
O(3) Ca(1) O(1) Ca(2) -149.58(2) ? 7_665 . . 3_555
O(3) Ca(1) O(1) Ca(3) -153.50(5) ? 7_665 . . 3_555
O(3) Ca(1) O(1) Ca(1) -22.62(3) ? 9_565 . . 8_565
O(3) Ca(1) O(1) P(3) -172.07(2) ? 9_565 . . .
O(3) Ca(1) O(1) Ca(2) 79.01(3) ? 9_565 . . 3_555
O(3) Ca(1) O(1) Ca(3) 75.09(5) ? 9_565 . . 3_555
O(1) Ca(1) O(3) Ca(2) -85.36(2) ? . . 11_555 2_554
O(1) Ca(1) O(3) P(3) 177.96(3) ? . . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -85.59(5) ? . . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -130.31(2) ? 11_555 . . 8_565
O(3) Ca(1) O(1) P(3) 80.23(3) ? 11_555 . . .
O(3) Ca(1) O(1) Ca(2) -28.69(2) ? 11_555 . . 3_555
O(3) Ca(1) O(1) Ca(3) -32.61(5) ? 11_555 . . 3_555
O(1) Ca(1) O(1) Ca(1) -39.154(19) ? 3_665 . 5_565 8_565
O(1) Ca(1) O(1) P(3) 171.39(5) ? 3_665 . 5_565 5_565
O(1) Ca(1) O(1) Ca(1) 39.16(2) ? 5_565 . 3_665 8_565
O(1) Ca(1) O(1) P(3) -110.30(6) ? 5_565 . 3_665 3_665
O(1) Ca(1) O(2) P(3) -150.55(3) ? 3_665 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 102.66(3) ? 2_554 . 3_665 8_565
O(2) Ca(1) O(1) P(3) -46.79(7) ? 2_554 . 3_665 3_665
O(1) Ca(1) O(2) P(3) -16.96(4) ? 3_665 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) -121.48(2) ? 4_664 . 3_665 8_565
O(2) Ca(1) O(1) P(3) 89.06(6) ? 4_664 . 3_665 3_665
O(1) Ca(1) O(2) P(3) -90.53(2) ? 3_665 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) 164.20(2) ? 6_564 . 3_665 8_565
O(2) Ca(1) O(1) P(3) 14.75(6) ? 6_564 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) -130.31(2) ? 7_665 . 3_665 8_565
O(3) Ca(1) O(1) P(3) 80.24(5) ? 7_665 . 3_665 3_665
O(3) Ca(1) O(1) Ca(1) 108.80(2) ? 9_565 . 3_665 8_565
O(3) Ca(1) O(1) P(3) -40.66(5) ? 9_565 . 3_665 3_665
O(1) Ca(1) O(3) Ca(2) -102.47(4) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) P(3) 160.84(3) ? 3_665 . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -102.71(6) ? 3_665 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) -22.62(5) ? 11_555 . 3_665 8_565
O(3) Ca(1) O(1) P(3) -172.07(3) ? 11_555 . 3_665 3_665
O(1) Ca(1) O(2) P(3) -90.53(3) ? 5_565 . 2_554 2_554
O(2) Ca(1) O(1) Ca(1) 164.20(2) ? 2_554 . 5_565 8_565
O(2) Ca(1) O(1) P(3) 14.74(5) ? 2_554 . 5_565 5_565
O(1) Ca(1) O(2) P(3) -150.54(4) ? 5_565 . 4_664 4_664
O(2) Ca(1) O(1) Ca(1) 102.65(4) ? 4_664 . 5_565 8_565
O(2) Ca(1) O(1) P(3) -46.80(8) ? 4_664 . 5_565 5_565
O(1) Ca(1) O(2) P(3) -16.96(2) ? 5_565 . 6_564 6_564
O(2) Ca(1) O(1) Ca(1) -121.48(2) ? 6_564 . 5_565 8_565
O(2) Ca(1) O(1) P(3) 89.06(4) ? 6_564 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -22.61(3) ? 7_665 . 5_565 8_565
O(3) Ca(1) O(1) P(3) -172.07(3) ? 7_665 . 5_565 5_565
O(3) Ca(1) O(1) Ca(1) -130.310(18) ? 9_565 . 5_565 8_565
O(3) Ca(1) O(1) P(3) 80.23(4) ? 9_565 . 5_565 5_565
O(1) Ca(1) O(3) Ca(2) -161.17(2) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) P(3) 102.15(3) ? 5_565 . 11_555 2_554
O(1) Ca(1) O(3) Ca(3) -161.40(5) ? 5_565 . 11_555 2_554
O(3) Ca(1) O(1) Ca(1) 108.796(19) ? 11_555 . 5_565 8_565
O(3) Ca(1) O(1) P(3) -40.66(4) ? 11_555 . 5_565 5_565
O(2) Ca(1) O(2) P(3) 144.51(3) ? 2_554 . 4_664 4_664
O(2) Ca(1) O(2) P(3) 65.81(3) ? 4_664 . 2_554 2_554
O(2) Ca(1) O(2) P(3) 65.81(2) ? 2_554 . 6_564 6_564
O(2) Ca(1) O(2) P(3) 144.51(3) ? 6_564 . 2_554 2_554
O(3) Ca(1) O(2) P(3) 94.43(2) ? 7_665 . 2_554 2_554
O(3) Ca(1) O(2) P(3) -157.15(3) ? 9_565 . 2_554 2_554
O(2) Ca(1) O(3) Ca(2) 103.46(3) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) P(3) 6.77(2) ? 2_554 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 103.23(5) ? 2_554 . 11_555 2_554
O(3) Ca(1) O(2) P(3) -6.95(2) ? 11_555 . 2_554 2_554
O(2) Ca(1) O(2) P(3) 144.51(2) ? 4_664 . 6_564 6_564
O(2) Ca(1) O(2) P(3) 65.81(3) ? 6_564 . 4_664 4_664
O(3) Ca(1) O(2) P(3) -6.95(2) ? 7_665 . 4_664 4_664
O(3) Ca(1) O(2) P(3) 94.43(3) ? 9_565 . 4_664 4_664
O(2) Ca(1) O(3) Ca(2) 15.91(2) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) P(3) -80.78(3) ? 4_664 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 15.67(5) ? 4_664 . 11_555 2_554
O(3) Ca(1) O(2) P(3) -157.15(3) ? 11_555 . 4_664 4_664
O(3) Ca(1) O(2) P(3) -157.15(2) ? 7_665 . 6_564 6_564
O(3) Ca(1) O(2) P(3) -6.954(17) ? 9_565 . 6_564 6_564
O(2) Ca(1) O(3) Ca(2) 69.24(3) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) P(3) -27.44(4) ? 6_564 . 11_555 2_554
O(2) Ca(1) O(3) Ca(3) 69.01(5) ? 6_564 . 11_555 2_554
O(3) Ca(1) O(2) P(3) 94.44(2) ? 11_555 . 6_564 6_564
O(3) Ca(1) O(3) Ca(2) -11.53(3) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) P(3) -108.22(3) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(3) -11.76(5) ? 7_665 . 11_555 2_554
O(3) Ca(1) O(3) Ca(2) 134.59(2) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) P(3) 37.91(3) ? 9_565 . 11_555 2_554
O(3) Ca(1) O(3) Ca(3) 134.36(5) ? 9_565 . 11_555 2_554
Cl(1) Ca(2) Cl(1) Ca(2) 59.0(2) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(2) -59.0(2) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(3) 178.9(7) ? . . 8_555 .
Cl(1) Ca(2) Cl(1) Ca(3) 60.7(2) ? . . 8_555 3_555
Cl(1) Ca(2) Cl(1) Ca(3) -60.8(2) ? . . 8_555 5_555
Cl(1) Ca(2) Cl(1) Ca(2) -59.0(2) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(2) 59.0(2) ? 8_555 . . 5_555
Cl(1) Ca(2) Cl(1) Ca(3) -178.9(7) ? 8_555 . . .
Cl(1) Ca(2) Cl(1) Ca(3) -60.7(2) ? 8_555 . . 3_555
Cl(1) Ca(2) Cl(1) Ca(3) 60.8(2) ? 8_555 . . 5_555
Cl(1) Ca(2) P(3) Ca(1) 126.55(19) ? . . . 2_655
Cl(1) Ca(2) P(3) Ca(1) -167.4(2) ? . . . 7_665
Cl(1) Ca(2) P(3) O(1) -20.41(19) ? . . . .
Cl(1) Ca(2) P(3) O(2) 159.59(19) ? . . . .
Cl(1) Ca(2) P(3) O(3) -106.7(2) ? . . . .
Cl(1) Ca(2) P(3) Ca(3) 159.59(19) ? . . . .
Cl(1) Ca(2) P(3) Ca(2) -20.41(19) ? . . . 3_555
Cl(1) Ca(2) P(3) O(3) 65.9(2) ? . . . 10_555
Cl(1) Ca(2) P(3) Ca(3) -20.41(19) ? . . . 3_555
Cl(1) Ca(2) P(3) Ca(3) 159.59(19) ? . . . 5_665
P(3) Ca(2) Cl(1) Ca(2) 28.9(2) ? . . . 3_555
P(3) Ca(2) Cl(1) Ca(2) 146.9(2) ? . . . 5_555
P(3) Ca(2) Cl(1) F(1) 87.88(2) ? . . . .
P(3) Ca(2) Cl(1) Ca(3) -91.0(7) ? . . . .
P(3) Ca(2) Cl(1) Cl(1) -92.12(2) ? . . . 7_556
P(3) Ca(2) Cl(1) Cl(1) 87.88(2) ? . . . 8_555
P(3) Ca(2) Cl(1) Ca(3) 27.1(2) ? . . . 3_555
P(3) Ca(2) Cl(1) Ca(3) 148.7(2) ? . . . 5_555
Cl(1) Ca(2) P(3) Ca(2) 20.7(2) ? . . 5_555 5_555
Cl(1) Ca(2) P(3) O(1) -159.3(2) ? . . 5_555 5_555
Cl(1) Ca(2) P(3) O(2) -159.3(2) ? . . 5_555 5_555
Cl(1) Ca(2) P(3) O(3) 75.8(2) ? . . 5_555 5_555
Cl(1) Ca(2) P(3) Ca(3) 20.7(2) ? . . 5_555 5_555
Cl(1) Ca(2) P(3) Ca(3) -159.3(2) ? . . 5_555 .
P(3) Ca(2) Cl(1) Ca(2) -145.1(2) ? 5_555 . . 3_555
P(3) Ca(2) Cl(1) Ca(2) -27.1(2) ? 5_555 . . 5_555
P(3) Ca(2) Cl(1) F(1) -86.13(3) ? 5_555 . . .
P(3) Ca(2) Cl(1) Ca(3) 95.0(7) ? 5_555 . . .
P(3) Ca(2) Cl(1) Cl(1) 93.87(3) ? 5_555 . . 7_556
P(3) Ca(2) Cl(1) Cl(1) -86.13(3) ? 5_555 . . 8_555
P(3) Ca(2) Cl(1) Ca(3) -146.9(2) ? 5_555 . . 3_555
P(3) Ca(2) Cl(1) Ca(3) -25.36(19) ? 5_555 . . 5_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? . . . 3_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? . . . 5_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? . . . .
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? . . . 3_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(2) -59.0(2) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(2) 59.0(2) ? . . . 5_555
F(1) Ca(2) Cl(1) Ca(3) -178.9(7) ? . . . .
F(1) Ca(2) Cl(1) Ca(3) -60.7(2) ? . . . 3_555
F(1) Ca(2) Cl(1) Ca(3) 60.8(2) ? . . . 5_555
Cl(1) Ca(2) O(1) P(3) 21.1(2) ? . . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) -158.9(2) ? . . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) -154.84(18) ? 5_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(2) -36.9(2) ? 5_555 . . 5_555
O(1) Ca(2) Cl(1) F(1) -95.84(5) ? 5_555 . . .
O(1) Ca(2) Cl(1) Ca(3) 85.3(7) ? 5_555 . . .
O(1) Ca(2) Cl(1) Cl(1) 84.16(5) ? 5_555 . . 7_556
O(1) Ca(2) Cl(1) Cl(1) -95.84(5) ? 5_555 . . 8_555
O(1) Ca(2) Cl(1) Ca(3) -156.58(17) ? 5_555 . . 3_555
O(1) Ca(2) Cl(1) Ca(3) -35.1(2) ? 5_555 . . 5_555
Cl(1) Ca(2) O(2) Ca(1) 10.9(3) ? . . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -89.4(3) ? . . 3_655 7_665
Cl(1) Ca(2) O(2) P(3) 140.7(3) ? . . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) 140.7(3) ? . . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) 65.4(4) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(2) -176.63(4) ? 3_655 . . 5_555
O(2) Ca(2) Cl(1) F(1) 124.4(2) ? 3_655 . . .
O(2) Ca(2) Cl(1) Ca(3) -54.5(7) ? 3_655 . . .
O(2) Ca(2) Cl(1) Cl(1) -55.6(2) ? 3_655 . . 7_556
O(2) Ca(2) Cl(1) Cl(1) 124.4(2) ? 3_655 . . 8_555
O(2) Ca(2) Cl(1) Ca(3) 63.6(4) ? 3_655 . . 3_555
O(2) Ca(2) Cl(1) Ca(3) -174.85(5) ? 3_655 . . 5_555
Cl(1) Ca(2) O(3) Ca(1) 164.53(17) ? . . . 7_665
Cl(1) Ca(2) O(3) P(3) 72.67(17) ? . . . .
Cl(1) Ca(2) O(3) Ca(3) 162.2(2) ? . . . .
Cl(1) Ca(2) O(3) Ca(2) -87.90(17) ? . . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -91.0(2) ? . . . 2_554
O(3) Ca(2) Cl(1) Ca(2) 0.6(2) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 118.6(2) ? . . . 5_555
O(3) Ca(2) Cl(1) F(1) 59.626(19) ? . . . .
O(3) Ca(2) Cl(1) Ca(3) -119.3(7) ? . . . .
O(3) Ca(2) Cl(1) Cl(1) -120.374(19) ? . . . 7_556
O(3) Ca(2) Cl(1) Cl(1) 59.626(19) ? . . . 8_555
O(3) Ca(2) Cl(1) Ca(3) -1.1(2) ? . . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 120.4(2) ? . . . 5_555
Cl(1) Ca(2) O(3) Ca(2) 30.61(6) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) P(3) -116.67(9) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 36.86(9) ? . . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) -174.0(2) ? . . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 136.8(2) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) -105.2(2) ? 6_555 . . 5_555
O(3) Ca(2) Cl(1) F(1) -164.188(15) ? 6_555 . . .
O(3) Ca(2) Cl(1) Ca(3) 16.9(7) ? 6_555 . . .
O(3) Ca(2) Cl(1) Cl(1) 15.812(15) ? 6_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) -164.188(15) ? 6_555 . . 8_555
O(3) Ca(2) Cl(1) Ca(3) 135.1(2) ? 6_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) -103.4(2) ? 6_555 . . 5_555
Cl(1) Ca(2) O(3) Ca(3) -173.7(2) ? . . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -77.91(19) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 40.1(2) ? 9_555 . . 5_555
O(3) Ca(2) Cl(1) F(1) -18.91(4) ? 9_555 . . .
O(3) Ca(2) Cl(1) Ca(3) 162.2(7) ? 9_555 . . .
O(3) Ca(2) Cl(1) Cl(1) 161.09(4) ? 9_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) -18.91(4) ? 9_555 . . 8_555
O(3) Ca(2) Cl(1) Ca(3) -79.65(19) ? 9_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 41.9(2) ? 9_555 . . 5_555
Cl(1) Ca(2) O(3) P(3) -108.57(18) ? . . 10_555 .
Cl(1) Ca(2) O(3) Ca(3) 161.9(2) ? . . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) 56.92(18) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(2) 174.9(2) ? 10_555 . . 5_555
O(3) Ca(2) Cl(1) F(1) 115.92(5) ? 10_555 . . .
O(3) Ca(2) Cl(1) Ca(3) -63.0(7) ? 10_555 . . .
O(3) Ca(2) Cl(1) Cl(1) -64.08(5) ? 10_555 . . 7_556
O(3) Ca(2) Cl(1) Cl(1) 115.92(5) ? 10_555 . . 8_555
O(3) Ca(2) Cl(1) Ca(3) 55.18(17) ? 10_555 . . 3_555
O(3) Ca(2) Cl(1) Ca(3) 176.7(2) ? 10_555 . . 5_555
Cl(1) Ca(2) Ca(3) P(3) -89.0(7) ? . . . .
Cl(1) Ca(2) Ca(3) F(1) -89.0(7) ? . . . .
Cl(1) Ca(2) Ca(3) O(3) -118.7(7) ? . . . .
Cl(1) Ca(2) Ca(3) Cl(1) -177.9(14) ? . . . 8_555
Cl(1) Ca(2) Ca(3) P(3) -89.0(7) ? . . . 3_655
Cl(1) Ca(2) Ca(3) P(3) 91.0(7) ? . . . 5_555
Cl(1) Ca(2) Ca(3) O(1) 91.0(7) ? . . . 5_555
Cl(1) Ca(2) Ca(3) O(2) -89.0(7) ? . . . 3_655
Cl(1) Ca(2) Ca(3) O(3) 17.3(7) ? . . . 6_555
Cl(1) Ca(2) Ca(3) O(3) 164.7(6) ? . . . 9_555
Cl(1) Ca(2) Ca(3) O(3) -59.2(6) ? . . . 10_555
Ca(3) Ca(2) Cl(1) Ca(2) 119.9(7) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(2) -122.1(7) ? . . . 5_555
Ca(3) Ca(2) Cl(1) F(1) 178.9(7) ? . . . .
Ca(3) Ca(2) Cl(1) Cl(1) -1.1(7) ? . . . 7_556
Ca(3) Ca(2) Cl(1) Cl(1) 178.9(7) ? . . . 8_555
Ca(3) Ca(2) Cl(1) Ca(3) 118.2(7) ? . . . 3_555
Ca(3) Ca(2) Cl(1) Ca(3) -120.3(7) ? . . . 5_555
Cl(1) Ca(2) P(3) Ca(1) 167.4(2) ? 8_555 . . 2_655
Cl(1) Ca(2) P(3) Ca(1) -126.6(2) ? 8_555 . . 7_665
Cl(1) Ca(2) P(3) O(1) 20.4(2) ? 8_555 . . .
Cl(1) Ca(2) P(3) O(2) -159.6(2) ? 8_555 . . .
Cl(1) Ca(2) P(3) O(3) -65.9(2) ? 8_555 . . .
Cl(1) Ca(2) P(3) Ca(3) -159.6(2) ? 8_555 . . .
Cl(1) Ca(2) P(3) Ca(2) 20.4(2) ? 8_555 . . 3_555
Cl(1) Ca(2) P(3) O(3) 106.7(2) ? 8_555 . . 10_555
Cl(1) Ca(2) P(3) Ca(3) 20.4(2) ? 8_555 . . 3_555
Cl(1) Ca(2) P(3) Ca(3) -159.6(2) ? 8_555 . . 5_665
P(3) Ca(2) Cl(1) Ca(2) -28.9(2) ? . . 8_555 3_555
P(3) Ca(2) Cl(1) Ca(2) -146.9(2) ? . . 8_555 5_555
P(3) Ca(2) Cl(1) Cl(1) -87.88(2) ? . . 8_555 .
P(3) Ca(2) Cl(1) F(1) -87.88(2) ? . . 8_555 .
P(3) Ca(2) Cl(1) Ca(3) 91.0(7) ? . . 8_555 .
P(3) Ca(2) Cl(1) Ca(3) -27.1(2) ? . . 8_555 3_555
P(3) Ca(2) Cl(1) Ca(3) -148.7(2) ? . . 8_555 5_555
Cl(1) Ca(2) P(3) Ca(2) -20.7(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) P(3) O(1) 159.3(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) P(3) O(2) 159.3(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) P(3) O(3) 34.5(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) P(3) Ca(3) -20.7(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) P(3) Ca(3) 159.3(2) ? 8_555 . 5_555 .
P(3) Ca(2) Cl(1) Ca(2) 145.1(2) ? 5_555 . 8_555 3_555
P(3) Ca(2) Cl(1) Ca(2) 27.1(2) ? 5_555 . 8_555 5_555
P(3) Ca(2) Cl(1) Cl(1) 86.13(3) ? 5_555 . 8_555 .
P(3) Ca(2) Cl(1) F(1) 86.13(3) ? 5_555 . 8_555 .
P(3) Ca(2) Cl(1) Ca(3) -95.0(7) ? 5_555 . 8_555 .
P(3) Ca(2) Cl(1) Ca(3) 146.9(2) ? 5_555 . 8_555 3_555
P(3) Ca(2) Cl(1) Ca(3) 25.36(19) ? 5_555 . 8_555 5_555
Cl(1) Ca(2) F(1) Ca(2) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(2) F(1) Ca(2) 90.0 ? 8_555 . . 5_555
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 8_555 . . .
Cl(1) Ca(2) F(1) Ca(3) -90.0 ? 8_555 . . 3_555
Cl(1) Ca(2) F(1) Ca(3) 90.0 ? 8_555 . . 5_555
F(1) Ca(2) Cl(1) Ca(2) 59.0(2) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(2) -59.0(2) ? . . 8_555 5_555
F(1) Ca(2) Cl(1) Ca(3) 178.9(7) ? . . 8_555 .
F(1) Ca(2) Cl(1) Ca(3) 60.7(2) ? . . 8_555 3_555
F(1) Ca(2) Cl(1) Ca(3) -60.8(2) ? . . 8_555 5_555
Cl(1) Ca(2) O(1) P(3) -21.1(2) ? 8_555 . 5_555 5_555
Cl(1) Ca(2) O(1) Ca(3) 158.9(2) ? 8_555 . 5_555 .
O(1) Ca(2) Cl(1) Ca(2) 154.84(18) ? 5_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(2) 36.9(2) ? 5_555 . 8_555 5_555
O(1) Ca(2) Cl(1) Cl(1) 95.84(5) ? 5_555 . 8_555 .
O(1) Ca(2) Cl(1) F(1) 95.84(5) ? 5_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) -85.3(7) ? 5_555 . 8_555 .
O(1) Ca(2) Cl(1) Ca(3) 156.58(17) ? 5_555 . 8_555 3_555
O(1) Ca(2) Cl(1) Ca(3) 35.1(2) ? 5_555 . 8_555 5_555
Cl(1) Ca(2) O(2) Ca(1) 89.4(3) ? 8_555 . 3_655 2_655
Cl(1) Ca(2) O(2) Ca(1) -10.9(3) ? 8_555 . 3_655 7_665
Cl(1) Ca(2) O(2) P(3) -140.7(3) ? 8_555 . 3_655 3_655
Cl(1) Ca(2) O(2) Ca(3) -140.7(3) ? 8_555 . 3_655 .
O(2) Ca(2) Cl(1) Ca(2) -65.4(4) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(2) 176.63(4) ? 3_655 . 8_555 5_555
O(2) Ca(2) Cl(1) Cl(1) -124.4(2) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) F(1) -124.4(2) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) 54.5(7) ? 3_655 . 8_555 .
O(2) Ca(2) Cl(1) Ca(3) -63.6(4) ? 3_655 . 8_555 3_555
O(2) Ca(2) Cl(1) Ca(3) 174.85(6) ? 3_655 . 8_555 5_555
Cl(1) Ca(2) O(3) Ca(1) -159.58(18) ? 8_555 . . 7_665
Cl(1) Ca(2) O(3) P(3) 108.57(18) ? 8_555 . . .
Cl(1) Ca(2) O(3) Ca(3) -161.9(2) ? 8_555 . . .
Cl(1) Ca(2) O(3) Ca(2) -52.00(19) ? 8_555 . . 2_554
Cl(1) Ca(2) O(3) Ca(3) -55.1(2) ? 8_555 . . 2_554
O(3) Ca(2) Cl(1) Ca(2) -56.92(18) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -174.9(2) ? . . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) -115.92(5) ? . . 8_555 .
O(3) Ca(2) Cl(1) F(1) -115.92(5) ? . . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 63.0(7) ? . . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -55.18(18) ? . . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -176.7(2) ? . . 8_555 5_555
Cl(1) Ca(2) O(3) Ca(2) 18.36(8) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) P(3) -128.91(10) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 24.61(11) ? 8_555 . 6_555 6_555
Cl(1) Ca(2) O(3) Ca(3) 173.7(2) ? 8_555 . 6_555 .
O(3) Ca(2) Cl(1) Ca(2) 77.91(19) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -40.1(2) ? 6_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) 18.91(4) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) 18.91(4) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -162.2(7) ? 6_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 79.65(19) ? 6_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -41.9(2) ? 6_555 . 8_555 5_555
Cl(1) Ca(2) O(3) Ca(3) 174.0(2) ? 8_555 . 9_555 .
O(3) Ca(2) Cl(1) Ca(2) -136.8(2) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) 105.2(2) ? 9_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) 164.188(15) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) 164.188(15) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -16.9(7) ? 9_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) -135.1(2) ? 9_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) 103.4(2) ? 9_555 . 8_555 5_555
Cl(1) Ca(2) O(3) P(3) -72.67(17) ? 8_555 . 10_555 .
Cl(1) Ca(2) O(3) Ca(3) -162.2(2) ? 8_555 . 10_555 .
O(3) Ca(2) Cl(1) Ca(2) -0.6(2) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(2) -118.6(2) ? 10_555 . 8_555 5_555
O(3) Ca(2) Cl(1) Cl(1) -59.626(19) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) F(1) -59.626(19) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 119.3(7) ? 10_555 . 8_555 .
O(3) Ca(2) Cl(1) Ca(3) 1.1(2) ? 10_555 . 8_555 3_555
O(3) Ca(2) Cl(1) Ca(3) -120.4(2) ? 10_555 . 8_555 5_555
Cl(1) Ca(2) Ca(3) Cl(1) 177.9(14) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) P(3) 89.0(7) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) F(1) 89.0(7) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) O(3) 59.2(6) ? 8_555 . . .
Cl(1) Ca(2) Ca(3) P(3) 89.0(7) ? 8_555 . . 3_655
Cl(1) Ca(2) Ca(3) P(3) -91.0(7) ? 8_555 . . 5_555
Cl(1) Ca(2) Ca(3) O(1) -91.0(7) ? 8_555 . . 5_555
Cl(1) Ca(2) Ca(3) O(2) 89.0(7) ? 8_555 . . 3_655
Cl(1) Ca(2) Ca(3) O(3) -164.7(6) ? 8_555 . . 6_555
Cl(1) Ca(2) Ca(3) O(3) -17.3(7) ? 8_555 . . 9_555
Cl(1) Ca(2) Ca(3) O(3) 118.7(7) ? 8_555 . . 10_555
Ca(3) Ca(2) Cl(1) Ca(2) -119.9(7) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(2) 122.1(7) ? . . 8_555 5_555
Ca(3) Ca(2) Cl(1) Cl(1) -178.9(7) ? . . 8_555 .
Ca(3) Ca(2) Cl(1) F(1) -178.9(7) ? . . 8_555 .
Ca(3) Ca(2) Cl(1) Ca(3) -118.2(7) ? . . 8_555 3_555
Ca(3) Ca(2) Cl(1) Ca(3) 120.3(7) ? . . 8_555 5_555
P(3) Ca(2) P(3) O(3) 55.16(2) ? . . 5_555 5_555
P(3) Ca(2) P(3) Ca(1) 146.963(5) ? 5_555 . . 2_655
P(3) Ca(2) P(3) Ca(1) -146.964(5) ? 5_555 . . 7_665
P(3) Ca(2) P(3) O(3) -86.26(3) ? 5_555 . . .
P(3) Ca(2) P(3) O(3) 86.26(3) ? 5_555 . . 10_555
P(3) Ca(2) F(1) Cl(1) -90.0 ? . . . .
P(3) Ca(2) F(1) Cl(1) 90.0 ? . . . 8_555
F(1) Ca(2) P(3) Ca(1) 146.963(5) ? . . . 2_655
F(1) Ca(2) P(3) Ca(1) -146.964(5) ? . . . 7_665
F(1) Ca(2) P(3) O(3) -86.26(3) ? . . . .
F(1) Ca(2) P(3) O(3) 86.26(3) ? . . . 10_555
O(1) Ca(2) P(3) Ca(1) -33.037(5) ? 5_555 . . 2_655
O(1) Ca(2) P(3) Ca(1) 33.036(5) ? 5_555 . . 7_665
O(1) Ca(2) P(3) O(3) 93.74(3) ? 5_555 . . .
O(1) Ca(2) P(3) O(3) -93.74(3) ? 5_555 . . 10_555
P(3) Ca(2) O(2) Ca(1) 50.14(2) ? . . 3_655 2_655
P(3) Ca(2) O(2) Ca(1) -50.14(2) ? . . 3_655 7_665
O(2) Ca(2) P(3) Ca(1) -33.037(5) ? 3_655 . . 2_655
O(2) Ca(2) P(3) Ca(1) 33.036(5) ? 3_655 . . 7_665
O(2) Ca(2) P(3) O(3) 93.74(3) ? 3_655 . . .
O(2) Ca(2) P(3) O(3) -93.74(3) ? 3_655 . . 10_555
P(3) Ca(2) O(3) Ca(1) 91.86(2) ? . . . 7_665
P(3) Ca(2) O(3) Ca(3) 89.58(13) ? . . . .
P(3) Ca(2) O(3) Ca(2) -160.57(6) ? . . . 2_554
P(3) Ca(2) O(3) Ca(3) -163.67(15) ? . . . 2_554
O(3) Ca(2) P(3) Ca(1) -126.78(3) ? . . . 2_655
O(3) Ca(2) P(3) Ca(1) -60.70(3) ? . . . 7_665
O(3) Ca(2) P(3) O(1) 86.26(3) ? . . . .
O(3) Ca(2) P(3) O(2) -93.74(3) ? . . . .
O(3) Ca(2) P(3) Ca(3) -93.74(3) ? . . . .
O(3) Ca(2) P(3) Ca(2) 86.26(3) ? . . . 3_555
O(3) Ca(2) P(3) O(3) 172.52(6) ? . . . 10_555
O(3) Ca(2) P(3) Ca(3) 86.26(3) ? . . . 3_555
O(3) Ca(2) P(3) Ca(3) -93.74(3) ? . . . 5_665
P(3) Ca(2) O(3) Ca(2) 112.82(4) ? . . 6_555 6_555
P(3) Ca(2) O(3) P(3) -34.45(10) ? . . 6_555 6_555
P(3) Ca(2) O(3) Ca(3) 119.07(7) ? . . 6_555 6_555
P(3) Ca(2) O(3) Ca(3) -91.8(2) ? . . 6_555 .
O(3) Ca(2) P(3) Ca(1) 44.31(4) ? 6_555 . . 2_655
O(3) Ca(2) P(3) Ca(1) 110.39(5) ? 6_555 . . 7_665
O(3) Ca(2) P(3) O(1) -102.65(5) ? 6_555 . . .
O(3) Ca(2) P(3) O(2) 77.35(5) ? 6_555 . . .
O(3) Ca(2) P(3) O(3) 171.09(7) ? 6_555 . . .
O(3) Ca(2) P(3) Ca(3) 77.35(5) ? 6_555 . . .
O(3) Ca(2) P(3) Ca(2) -102.65(5) ? 6_555 . . 3_555
O(3) Ca(2) P(3) O(3) -16.39(4) ? 6_555 . . 10_555
O(3) Ca(2) P(3) Ca(3) -102.65(5) ? 6_555 . . 3_555
O(3) Ca(2) P(3) Ca(3) 77.35(5) ? 6_555 . . 5_665
P(3) Ca(2) O(3) Ca(3) 91.8(2) ? . . 9_555 .
O(3) Ca(2) P(3) Ca(1) -110.39(5) ? 9_555 . . 2_655
O(3) Ca(2) P(3) Ca(1) -44.31(4) ? 9_555 . . 7_665
O(3) Ca(2) P(3) O(1) 102.65(5) ? 9_555 . . .
O(3) Ca(2) P(3) O(2) -77.35(5) ? 9_555 . . .
O(3) Ca(2) P(3) O(3) 16.39(4) ? 9_555 . . .
O(3) Ca(2) P(3) Ca(3) -77.35(5) ? 9_555 . . .
O(3) Ca(2) P(3) Ca(2) 102.65(5) ? 9_555 . . 3_555
O(3) Ca(2) P(3) O(3) -171.09(7) ? 9_555 . . 10_555
O(3) Ca(2) P(3) Ca(3) 102.65(5) ? 9_555 . . 3_555
O(3) Ca(2) P(3) Ca(3) -77.35(5) ? 9_555 . . 5_665
P(3) Ca(2) O(3) Ca(3) -89.58(13) ? . . 10_555 .
O(3) Ca(2) P(3) Ca(1) 60.70(3) ? 10_555 . . 2_655
O(3) Ca(2) P(3) Ca(1) 126.77(3) ? 10_555 . . 7_665
O(3) Ca(2) P(3) O(1) -86.26(3) ? 10_555 . . .
O(3) Ca(2) P(3) O(2) 93.74(3) ? 10_555 . . .
O(3) Ca(2) P(3) O(3) -172.52(6) ? 10_555 . . .
O(3) Ca(2) P(3) Ca(3) 93.74(3) ? 10_555 . . .
O(3) Ca(2) P(3) Ca(2) -86.26(3) ? 10_555 . . 3_555
O(3) Ca(2) P(3) Ca(3) -86.26(3) ? 10_555 . . 3_555
O(3) Ca(2) P(3) Ca(3) 93.74(3) ? 10_555 . . 5_665
P(3) Ca(2) Ca(3) Cl(1) 89.0(7) ? . . . .
P(3) Ca(2) Ca(3) O(3) -29.73(2) ? . . . .
P(3) Ca(2) Ca(3) Cl(1) -89.0(7) ? . . . 8_555
P(3) Ca(2) Ca(3) O(3) 106.31(5) ? . . . 6_555
P(3) Ca(2) Ca(3) O(3) -106.31(5) ? . . . 9_555
P(3) Ca(2) Ca(3) O(3) 29.73(2) ? . . . 10_555
Ca(3) Ca(2) P(3) Ca(1) -33.037(5) ? . . . 2_655
Ca(3) Ca(2) P(3) Ca(1) 33.036(5) ? . . . 7_665
Ca(3) Ca(2) P(3) O(3) 93.74(3) ? . . . .
Ca(3) Ca(2) P(3) O(3) -93.74(3) ? . . . 10_555
P(3) Ca(2) F(1) Cl(1) 90.0 ? 5_555 . . .
P(3) Ca(2) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
F(1) Ca(2) P(3) O(3) 55.16(2) ? . . 5_555 5_555
O(1) Ca(2) P(3) O(3) -124.84(2) ? 5_555 . 5_555 5_555
P(3) Ca(2) O(2) Ca(1) -129.86(2) ? 5_555 . 3_655 2_655
P(3) Ca(2) O(2) Ca(1) 129.86(2) ? 5_555 . 3_655 7_665
O(2) Ca(2) P(3) O(3) -124.84(2) ? 3_655 . 5_555 5_555
P(3) Ca(2) O(3) Ca(1) -119.18(8) ? 5_555 . . 7_665
P(3) Ca(2) O(3) P(3) 148.96(8) ? 5_555 . . .
P(3) Ca(2) O(3) Ca(3) -121.46(15) ? 5_555 . . .
P(3) Ca(2) O(3) Ca(2) -11.60(12) ? 5_555 . . 2_554
P(3) Ca(2) O(3) Ca(3) -14.71(18) ? 5_555 . . 2_554
O(3) Ca(2) P(3) Ca(2) -59.78(9) ? . . 5_555 5_555
O(3) Ca(2) P(3) O(1) 120.22(9) ? . . 5_555 5_555
O(3) Ca(2) P(3) O(2) 120.22(9) ? . . 5_555 5_555
O(3) Ca(2) P(3) O(3) -4.61(9) ? . . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) -59.78(9) ? . . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) 120.22(9) ? . . 5_555 .
P(3) Ca(2) O(3) Ca(2) -50.05(3) ? 5_555 . 6_555 6_555
P(3) Ca(2) O(3) P(3) 162.67(6) ? 5_555 . 6_555 6_555
P(3) Ca(2) O(3) Ca(3) -43.80(7) ? 5_555 . 6_555 6_555
P(3) Ca(2) O(3) Ca(3) 105.3(2) ? 5_555 . 6_555 .
O(3) Ca(2) P(3) Ca(2) 107.10(3) ? 6_555 . 5_555 5_555
O(3) Ca(2) P(3) O(1) -72.90(3) ? 6_555 . 5_555 5_555
O(3) Ca(2) P(3) O(2) -72.90(3) ? 6_555 . 5_555 5_555
O(3) Ca(2) P(3) O(3) 162.27(4) ? 6_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) 107.10(3) ? 6_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) -72.90(3) ? 6_555 . 5_555 .
P(3) Ca(2) O(3) Ca(3) -105.3(2) ? 5_555 . 9_555 .
O(3) Ca(2) P(3) Ca(2) -107.10(3) ? 9_555 . 5_555 5_555
O(3) Ca(2) P(3) O(1) 72.90(3) ? 9_555 . 5_555 5_555
O(3) Ca(2) P(3) O(2) 72.90(3) ? 9_555 . 5_555 5_555
O(3) Ca(2) P(3) O(3) -51.94(4) ? 9_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) -107.10(3) ? 9_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) 72.90(3) ? 9_555 . 5_555 .
P(3) Ca(2) O(3) P(3) -148.96(8) ? 5_555 . 10_555 .
P(3) Ca(2) O(3) Ca(3) 121.46(15) ? 5_555 . 10_555 .
O(3) Ca(2) P(3) Ca(2) 59.78(9) ? 10_555 . 5_555 5_555
O(3) Ca(2) P(3) O(1) -120.22(9) ? 10_555 . 5_555 5_555
O(3) Ca(2) P(3) O(2) -120.22(9) ? 10_555 . 5_555 5_555
O(3) Ca(2) P(3) O(3) 114.94(10) ? 10_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) 59.78(9) ? 10_555 . 5_555 5_555
O(3) Ca(2) P(3) Ca(3) -120.22(9) ? 10_555 . 5_555 .
P(3) Ca(2) Ca(3) Cl(1) -91.0(7) ? 5_555 . . .
P(3) Ca(2) Ca(3) O(3) 150.27(2) ? 5_555 . . .
P(3) Ca(2) Ca(3) Cl(1) 91.0(7) ? 5_555 . . 8_555
P(3) Ca(2) Ca(3) O(3) -73.69(5) ? 5_555 . . 6_555
P(3) Ca(2) Ca(3) O(3) 73.69(5) ? 5_555 . . 9_555
P(3) Ca(2) Ca(3) O(3) -150.27(2) ? 5_555 . . 10_555
Ca(3) Ca(2) P(3) O(3) -124.84(2) ? . . 5_555 5_555
O(1) Ca(2) F(1) Cl(1) 90.0 ? 5_555 . . .
O(1) Ca(2) F(1) Cl(1) -90.0 ? 5_555 . . 8_555
F(1) Ca(2) O(2) Ca(1) 50.14(2) ? . . 3_655 2_655
F(1) Ca(2) O(2) Ca(1) -50.14(2) ? . . 3_655 7_665
O(2) Ca(2) F(1) Cl(1) -90.0 ? 3_655 . . .
O(2) Ca(2) F(1) Cl(1) 90.0 ? 3_655 . . 8_555
F(1) Ca(2) O(3) Ca(1) -177.912(16) ? . . . 7_665
F(1) Ca(2) O(3) P(3) 90.23(2) ? . . . .
F(1) Ca(2) O(3) Ca(3) 179.81(13) ? . . . .
F(1) Ca(2) O(3) Ca(2) -70.33(5) ? . . . 2_554
F(1) Ca(2) O(3) Ca(3) -73.44(14) ? . . . 2_554
O(3) Ca(2) F(1) Ca(2) -29.749(13) ? . . . 3_555
O(3) Ca(2) F(1) Ca(2) 150.251(13) ? . . . 5_555
O(3) Ca(2) F(1) Cl(1) -119.749(13) ? . . . .
O(3) Ca(2) F(1) Ca(3) -29.749(13) ? . . . .
O(3) Ca(2) F(1) Cl(1) 60.251(13) ? . . . 8_555
O(3) Ca(2) F(1) Ca(3) -29.749(13) ? . . . 3_555
O(3) Ca(2) F(1) Ca(3) 150.251(13) ? . . . 5_555
F(1) Ca(2) O(3) Ca(2) 25.02(3) ? . . 6_555 6_555
F(1) Ca(2) O(3) P(3) -122.26(7) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(3) 31.27(7) ? . . 6_555 6_555
F(1) Ca(2) O(3) Ca(3) -179.6(2) ? . . 6_555 .
O(3) Ca(2) F(1) Ca(2) 106.216(14) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -73.784(14) ? 6_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 16.216(14) ? 6_555 . . .
O(3) Ca(2) F(1) Ca(3) 106.216(14) ? 6_555 . . .
O(3) Ca(2) F(1) Cl(1) -163.784(14) ? 6_555 . . 8_555
O(3) Ca(2) F(1) Ca(3) 106.216(14) ? 6_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -73.784(14) ? 6_555 . . 5_555
F(1) Ca(2) O(3) Ca(3) 179.6(2) ? . . 9_555 .
O(3) Ca(2) F(1) Ca(2) -106.216(14) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) 73.784(14) ? 9_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) 163.784(14) ? 9_555 . . .
O(3) Ca(2) F(1) Ca(3) -106.216(14) ? 9_555 . . .
O(3) Ca(2) F(1) Cl(1) -16.216(14) ? 9_555 . . 8_555
O(3) Ca(2) F(1) Ca(3) -106.216(14) ? 9_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) 73.784(14) ? 9_555 . . 5_555
F(1) Ca(2) O(3) P(3) -90.23(2) ? . . 10_555 .
F(1) Ca(2) O(3) Ca(3) -179.81(13) ? . . 10_555 .
O(3) Ca(2) F(1) Ca(2) 29.749(13) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(2) -150.251(13) ? 10_555 . . 5_555
O(3) Ca(2) F(1) Cl(1) -60.251(13) ? 10_555 . . .
O(3) Ca(2) F(1) Ca(3) 29.749(13) ? 10_555 . . .
O(3) Ca(2) F(1) Cl(1) 119.749(13) ? 10_555 . . 8_555
O(3) Ca(2) F(1) Ca(3) 29.749(13) ? 10_555 . . 3_555
O(3) Ca(2) F(1) Ca(3) -150.251(13) ? 10_555 . . 5_555
F(1) Ca(2) Ca(3) Cl(1) 89.0(7) ? . . . .
F(1) Ca(2) Ca(3) O(3) -29.73(2) ? . . . .
F(1) Ca(2) Ca(3) Cl(1) -89.0(7) ? . . . 8_555
F(1) Ca(2) Ca(3) O(3) 106.31(5) ? . . . 6_555
F(1) Ca(2) Ca(3) O(3) -106.31(5) ? . . . 9_555
F(1) Ca(2) Ca(3) O(3) 29.73(2) ? . . . 10_555
Ca(3) Ca(2) F(1) Cl(1) -90.0 ? . . . .
Ca(3) Ca(2) F(1) Cl(1) 90.0 ? . . . 8_555
O(1) Ca(2) O(2) Ca(1) -129.86(2) ? 5_555 . 3_655 2_655
O(1) Ca(2) O(2) Ca(1) 129.86(2) ? 5_555 . 3_655 7_665
O(1) Ca(2) O(3) Ca(1) -67.49(12) ? 5_555 . . 7_665
O(1) Ca(2) O(3) P(3) -159.34(12) ? 5_555 . . .
O(1) Ca(2) O(3) Ca(3) -69.77(18) ? 5_555 . . .
O(1) Ca(2) O(3) Ca(2) 40.09(15) ? 5_555 . . 2_554
O(1) Ca(2) O(3) Ca(3) 37.0(2) ? 5_555 . . 2_554
O(3) Ca(2) O(1) P(3) -104.19(12) ? . . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) 75.81(12) ? . . 5_555 .
O(1) Ca(2) O(3) Ca(2) -77.86(4) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) P(3) 134.86(7) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) Ca(3) -71.61(8) ? 5_555 . 6_555 6_555
O(1) Ca(2) O(3) Ca(3) 77.5(2) ? 5_555 . 6_555 .
O(3) Ca(2) O(1) P(3) 99.31(3) ? 6_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) -80.69(3) ? 6_555 . 5_555 .
O(1) Ca(2) O(3) Ca(3) -77.5(2) ? 5_555 . 9_555 .
O(3) Ca(2) O(1) P(3) -99.31(3) ? 9_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) 80.69(3) ? 9_555 . 5_555 .
O(1) Ca(2) O(3) P(3) 159.34(12) ? 5_555 . 10_555 .
O(1) Ca(2) O(3) Ca(3) 69.77(18) ? 5_555 . 10_555 .
O(3) Ca(2) O(1) P(3) 104.19(12) ? 10_555 . 5_555 5_555
O(3) Ca(2) O(1) Ca(3) -75.81(12) ? 10_555 . 5_555 .
O(1) Ca(2) Ca(3) Cl(1) -91.0(7) ? 5_555 . . .
O(1) Ca(2) Ca(3) O(3) 150.27(2) ? 5_555 . . .
O(1) Ca(2) Ca(3) Cl(1) 91.0(7) ? 5_555 . . 8_555
O(1) Ca(2) Ca(3) O(3) -73.69(5) ? 5_555 . . 6_555
O(1) Ca(2) Ca(3) O(3) 73.69(5) ? 5_555 . . 9_555
O(1) Ca(2) Ca(3) O(3) -150.27(2) ? 5_555 . . 10_555
O(2) Ca(2) O(3) Ca(1) 15.606(17) ? 3_655 . . 7_665
O(2) Ca(2) O(3) P(3) -76.25(2) ? 3_655 . . .
O(2) Ca(2) O(3) Ca(3) 13.33(12) ? 3_655 . . .
O(2) Ca(2) O(3) Ca(2) 123.18(5) ? 3_655 . . 2_554
O(2) Ca(2) O(3) Ca(3) 120.08(14) ? 3_655 . . 2_554
O(3) Ca(2) O(2) Ca(1) 80.98(2) ? . . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -19.30(2) ? . . 3_655 7_665
O(3) Ca(2) O(2) P(3) -149.157(16) ? . . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -149.157(16) ? . . 3_655 .
O(2) Ca(2) O(3) Ca(2) 179.16(3) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) P(3) 31.88(8) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(3) -174.59(7) ? 3_655 . 6_555 6_555
O(2) Ca(2) O(3) Ca(3) -25.5(2) ? 3_655 . 6_555 .
O(3) Ca(2) O(2) Ca(1) -60.44(3) ? 6_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -160.73(2) ? 6_555 . 3_655 7_665
O(3) Ca(2) O(2) P(3) 69.42(2) ? 6_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 69.42(2) ? 6_555 . 3_655 .
O(2) Ca(2) O(3) Ca(3) 25.5(2) ? 3_655 . 9_555 .
O(3) Ca(2) O(2) Ca(1) 160.72(2) ? 9_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) 60.44(3) ? 9_555 . 3_655 7_665
O(3) Ca(2) O(2) P(3) -69.42(2) ? 9_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) -69.42(2) ? 9_555 . 3_655 .
O(2) Ca(2) O(3) P(3) 76.25(2) ? 3_655 . 10_555 .
O(2) Ca(2) O(3) Ca(3) -13.33(12) ? 3_655 . 10_555 .
O(3) Ca(2) O(2) Ca(1) 19.30(2) ? 10_555 . 3_655 2_655
O(3) Ca(2) O(2) Ca(1) -80.99(2) ? 10_555 . 3_655 7_665
O(3) Ca(2) O(2) P(3) 149.157(16) ? 10_555 . 3_655 3_655
O(3) Ca(2) O(2) Ca(3) 149.157(16) ? 10_555 . 3_655 .
O(2) Ca(2) Ca(3) Cl(1) 89.0(7) ? 3_655 . . .
O(2) Ca(2) Ca(3) O(3) -29.73(2) ? 3_655 . . .
O(2) Ca(2) Ca(3) Cl(1) -89.0(7) ? 3_655 . . 8_555
O(2) Ca(2) Ca(3) O(3) 106.31(5) ? 3_655 . . 6_555
O(2) Ca(2) Ca(3) O(3) -106.31(5) ? 3_655 . . 9_555
O(2) Ca(2) Ca(3) O(3) 29.73(2) ? 3_655 . . 10_555
Ca(3) Ca(2) O(2) Ca(1) -129.86(2) ? . . 3_655 2_655
Ca(3) Ca(2) O(2) Ca(1) 129.86(2) ? . . 3_655 7_665
O(3) Ca(2) O(3) Ca(2) 119.17(8) ? . . 6_555 6_555
O(3) Ca(2) O(3) P(3) -28.11(15) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 125.42(10) ? . . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -85.5(2) ? . . 6_555 .
O(3) Ca(2) O(3) Ca(1) 79.49(9) ? 6_555 . . 7_665
O(3) Ca(2) O(3) P(3) -12.36(10) ? 6_555 . . .
O(3) Ca(2) O(3) Ca(3) 77.22(15) ? 6_555 . . .
O(3) Ca(2) O(3) Ca(2) -172.93(8) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -176.03(15) ? 6_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) 100.0(2) ? . . 9_555 .
O(3) Ca(2) O(3) Ca(1) -72.19(3) ? 9_555 . . 7_665
O(3) Ca(2) O(3) P(3) -164.04(4) ? 9_555 . . .
O(3) Ca(2) O(3) Ca(3) -74.47(13) ? 9_555 . . .
O(3) Ca(2) O(3) Ca(2) 35.39(6) ? 9_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) 32.29(15) ? 9_555 . . 2_554
O(3) Ca(2) O(3) P(3) -4.30(3) ? . . 10_555 .
O(3) Ca(2) O(3) Ca(3) -93.87(13) ? . . 10_555 .
O(3) Ca(2) O(3) Ca(1) 96.15(3) ? 10_555 . . 7_665
O(3) Ca(2) O(3) P(3) 4.30(3) ? 10_555 . . .
O(3) Ca(2) O(3) Ca(3) 93.87(13) ? 10_555 . . .
O(3) Ca(2) O(3) Ca(2) -156.27(5) ? 10_555 . . 2_554
O(3) Ca(2) O(3) Ca(3) -159.37(14) ? 10_555 . . 2_554
O(3) Ca(2) Ca(3) Cl(1) 118.7(7) ? . . . .
O(3) Ca(2) Ca(3) P(3) 29.73(2) ? . . . .
O(3) Ca(2) Ca(3) F(1) 29.73(2) ? . . . .
O(3) Ca(2) Ca(3) Cl(1) -59.2(6) ? . . . 8_555
O(3) Ca(2) Ca(3) P(3) 29.73(2) ? . . . 3_655
O(3) Ca(2) Ca(3) P(3) -150.27(2) ? . . . 5_555
O(3) Ca(2) Ca(3) O(1) -150.27(2) ? . . . 5_555
O(3) Ca(2) Ca(3) O(2) 29.73(2) ? . . . 3_655
O(3) Ca(2) Ca(3) O(3) 136.03(4) ? . . . 6_555
O(3) Ca(2) Ca(3) O(3) -76.58(7) ? . . . 9_555
O(3) Ca(2) Ca(3) O(3) 59.45(3) ? . . . 10_555
Ca(3) Ca(2) O(3) Ca(1) 2.28(13) ? . . . 7_665
Ca(3) Ca(2) O(3) P(3) -89.58(13) ? . . . .
Ca(3) Ca(2) O(3) Ca(2) 109.86(13) ? . . . 2_554
Ca(3) Ca(2) O(3) Ca(3) 106.75(19) ? . . . 2_554
O(3) Ca(2) O(3) Ca(3) -50.9(2) ? 6_555 . 9_555 .
O(3) Ca(2) O(3) Ca(2) -104.44(9) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) P(3) 108.28(7) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -98.19(11) ? 9_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 50.9(2) ? 9_555 . 6_555 .
O(3) Ca(2) O(3) P(3) 164.04(4) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) 74.47(13) ? 6_555 . 10_555 .
O(3) Ca(2) O(3) Ca(2) 104.66(3) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) P(3) -42.62(9) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) 110.91(7) ? 10_555 . 6_555 6_555
O(3) Ca(2) O(3) Ca(3) -100.0(2) ? 10_555 . 6_555 .
O(3) Ca(2) Ca(3) Cl(1) -17.3(7) ? 6_555 . . .
O(3) Ca(2) Ca(3) P(3) -106.31(5) ? 6_555 . . .
O(3) Ca(2) Ca(3) F(1) -106.31(5) ? 6_555 . . .
O(3) Ca(2) Ca(3) O(3) -136.03(4) ? 6_555 . . .
O(3) Ca(2) Ca(3) Cl(1) 164.7(6) ? 6_555 . . 8_555
O(3) Ca(2) Ca(3) P(3) -106.31(5) ? 6_555 . . 3_655
O(3) Ca(2) Ca(3) P(3) 73.69(5) ? 6_555 . . 5_555
O(3) Ca(2) Ca(3) O(1) 73.69(5) ? 6_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) -106.31(5) ? 6_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) 147.39(11) ? 6_555 . . 9_555
O(3) Ca(2) Ca(3) O(3) -76.58(7) ? 6_555 . . 10_555
Ca(3) Ca(2) O(3) Ca(2) -155.4(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) P(3) 57.4(2) ? . . 6_555 6_555
Ca(3) Ca(2) O(3) Ca(3) -149.1(2) ? . . 6_555 6_555
O(3) Ca(2) O(3) P(3) 12.36(10) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) -77.22(15) ? 9_555 . 10_555 .
O(3) Ca(2) O(3) Ca(3) 85.5(2) ? 10_555 . 9_555 .
O(3) Ca(2) Ca(3) Cl(1) -164.7(6) ? 9_555 . . .
O(3) Ca(2) Ca(3) P(3) 106.31(5) ? 9_555 . . .
O(3) Ca(2) Ca(3) F(1) 106.31(5) ? 9_555 . . .
O(3) Ca(2) Ca(3) O(3) 76.58(7) ? 9_555 . . .
O(3) Ca(2) Ca(3) Cl(1) 17.3(7) ? 9_555 . . 8_555
O(3) Ca(2) Ca(3) P(3) 106.31(5) ? 9_555 . . 3_655
O(3) Ca(2) Ca(3) P(3) -73.69(5) ? 9_555 . . 5_555
O(3) Ca(2) Ca(3) O(1) -73.69(5) ? 9_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) 106.31(5) ? 9_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) -147.39(11) ? 9_555 . . 6_555
O(3) Ca(2) Ca(3) O(3) 136.03(4) ? 9_555 . . 10_555
O(3) Ca(2) Ca(3) Cl(1) 59.2(6) ? 10_555 . . .
O(3) Ca(2) Ca(3) P(3) -29.73(2) ? 10_555 . . .
O(3) Ca(2) Ca(3) F(1) -29.73(2) ? 10_555 . . .
O(3) Ca(2) Ca(3) O(3) -59.45(3) ? 10_555 . . .
O(3) Ca(2) Ca(3) Cl(1) -118.7(7) ? 10_555 . . 8_555
O(3) Ca(2) Ca(3) P(3) -29.73(2) ? 10_555 . . 3_655
O(3) Ca(2) Ca(3) P(3) 150.27(2) ? 10_555 . . 5_555
O(3) Ca(2) Ca(3) O(1) 150.27(2) ? 10_555 . . 5_555
O(3) Ca(2) Ca(3) O(2) -29.73(2) ? 10_555 . . 3_655
O(3) Ca(2) Ca(3) O(3) 76.58(7) ? 10_555 . . 6_555
O(3) Ca(2) Ca(3) O(3) -136.03(4) ? 10_555 . . 9_555
Ca(3) Ca(2) O(3) P(3) 89.58(13) ? . . 10_555 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(3) ? . . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(3) ? . . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.04(2) ? . . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) -120.04(9) ? . . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.96(9) ? . . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.00(3) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(2) 120.00(3) ? . . . 5_555
Ca(2) Cl(1) F(1) Ca(3) -0.04(2) ? . . . .
Ca(2) Cl(1) F(1) Ca(3) -120.04(9) ? . . . 3_555
Ca(2) Cl(1) F(1) Ca(3) 119.96(9) ? . . . 5_555
Ca(2) Cl(1) Ca(3) P(3) 87.6(7) ? . . . .
Ca(2) Cl(1) Ca(3) F(1) 1.1(7) ? . . . .
Ca(2) Cl(1) Ca(3) O(3) 59.0(7) ? . . . .
Ca(2) Cl(1) Ca(3) Cl(1) 1.1(7) ? . . . 8_555
Ca(2) Cl(1) Ca(3) P(3) 161.8(8) ? . . . 3_655
Ca(2) Cl(1) Ca(3) P(3) -83.9(7) ? . . . 5_555
Ca(2) Cl(1) Ca(3) O(1) -92.4(7) ? . . . 5_555
Ca(2) Cl(1) Ca(3) O(2) 119.8(8) ? . . . 3_655
Ca(2) Cl(1) Ca(3) O(3) -162.5(7) ? . . . 6_555
Ca(2) Cl(1) Ca(3) O(3) -16.8(7) ? . . . 9_555
Ca(2) Cl(1) Ca(3) O(3) 115.7(7) ? . . . 10_555
Ca(2) Cl(1) Ca(3) Ca(2) 58(2) ? . . 3_555 3_555
Ca(2) Cl(1) Ca(3) P(3) 146.1(2) ? . . 3_555 3_555
Ca(2) Cl(1) Ca(3) O(3) 117.5(2) ? . . 3_555 3_555
Ca(2) Cl(1) Ca(3) Cl(1) 59.5(2) ? . . 3_555 8_555
Ca(2) Cl(1) Ca(3) P(3) -25.47(19) ? . . 3_555 .
Ca(2) Cl(1) Ca(3) F(1) 59.5(2) ? . . 3_555 .
Ca(2) Cl(1) Ca(3) O(1) -34.0(2) ? . . 3_555 .
Ca(2) Cl(1) Ca(3) Ca(2) -61(3) ? . . 5_555 5_555
Ca(2) Cl(1) Ca(3) P(3) 27.0(2) ? . . 5_555 5_555
Ca(2) Cl(1) Ca(3) O(3) -1.6(2) ? . . 5_555 5_555
Ca(2) Cl(1) Ca(3) Cl(1) -59.6(2) ? . . 5_555 8_555
Ca(2) Cl(1) Ca(3) F(1) -59.6(2) ? . . 5_555 .
Ca(2) Cl(1) Ca(3) O(3) 55.07(17) ? . . 5_555 8_555
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(3) ? 3_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(4) ? 3_555 . 8_555 5_555
Ca(2) Cl(1) Cl(1) Ca(3) 119.96(4) ? 3_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) -0.04(4) ? 3_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.04(10) ? 3_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) 120.00(3) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(2) -120.00(4) ? 3_555 . . 5_555
Ca(2) Cl(1) F(1) Ca(3) 119.96(4) ? 3_555 . . .
Ca(2) Cl(1) F(1) Ca(3) -0.04(4) ? 3_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -120.04(10) ? 3_555 . . 5_555
Ca(2) Cl(1) Ca(3) Ca(2) -60.7(7) ? 3_555 . . .
Ca(2) Cl(1) Ca(3) P(3) 27.0(2) ? 3_555 . . .
Ca(2) Cl(1) Ca(3) F(1) -59.6(2) ? 3_555 . . .
Ca(2) Cl(1) Ca(3) O(3) -1.6(2) ? 3_555 . . .
Ca(2) Cl(1) Ca(3) Cl(1) -59.6(2) ? 3_555 . . 8_555
Ca(2) Cl(1) Ca(3) P(3) 101.1(4) ? 3_555 . . 3_655
Ca(2) Cl(1) Ca(3) P(3) -144.6(2) ? 3_555 . . 5_555
Ca(2) Cl(1) Ca(3) O(1) -153.1(2) ? 3_555 . . 5_555
Ca(2) Cl(1) Ca(3) O(2) 59.1(4) ? 3_555 . . 3_655
Ca(2) Cl(1) Ca(3) O(3) 136.8(2) ? 3_555 . . 6_555
Ca(2) Cl(1) Ca(3) O(3) -77.4(2) ? 3_555 . . 9_555
Ca(2) Cl(1) Ca(3) O(3) 55.07(17) ? 3_555 . . 10_555
Ca(2) Cl(1) Ca(3) P(3) 88(2) ? 3_555 . 3_555 3_555
Ca(2) Cl(1) Ca(3) O(3) 59(2) ? 3_555 . 3_555 3_555
Ca(2) Cl(1) Ca(3) Cl(1) 1.1(11) ? 3_555 . 3_555 8_555
Ca(2) Cl(1) Ca(3) P(3) -84(2) ? 3_555 . 3_555 .
Ca(2) Cl(1) Ca(3) F(1) 1.1(11) ? 3_555 . 3_555 .
Ca(2) Cl(1) Ca(3) O(1) -92(2) ? 3_555 . 3_555 .
Ca(2) Cl(1) Ca(3) Ca(2) 58(3) ? 3_555 . 5_555 5_555
Ca(2) Cl(1) Ca(3) P(3) 146.1(2) ? 3_555 . 5_555 5_555
Ca(2) Cl(1) Ca(3) O(3) 117.5(2) ? 3_555 . 5_555 5_555
Ca(2) Cl(1) Ca(3) Cl(1) 59.5(2) ? 3_555 . 5_555 8_555
Ca(2) Cl(1) Ca(3) F(1) 59.5(2) ? 3_555 . 5_555 .
Ca(2) Cl(1) Ca(3) O(3) 174.2(3) ? 3_555 . 5_555 8_555
Ca(2) Cl(1) Cl(1) Ca(2) -120.00(3) ? 5_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(2) 120.00(4) ? 5_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -120.04(4) ? 5_555 . 8_555 .
Ca(2) Cl(1) Cl(1) Ca(3) 119.96(10) ? 5_555 . 8_555 3_555
Ca(2) Cl(1) Cl(1) Ca(3) -0.04(10) ? 5_555 . 8_555 5_555
Ca(2) Cl(1) F(1) Ca(2) -120.00(3) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(2) 120.00(4) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -120.04(4) ? 5_555 . . .
Ca(2) Cl(1) F(1) Ca(3) 119.96(10) ? 5_555 . . 3_555
Ca(2) Cl(1) F(1) Ca(3) -0.04(10) ? 5_555 . . 5_555
Ca(2) Cl(1) Ca(3) Ca(2) 58.5(7) ? 5_555 . . .
Ca(2) Cl(1) Ca(3) P(3) 146.1(2) ? 5_555 . . .
Ca(2) Cl(1) Ca(3) F(1) 59.5(2) ? 5_555 . . .
Ca(2) Cl(1) Ca(3) O(3) 117.5(2) ? 5_555 . . .
Ca(2) Cl(1) Ca(3) Cl(1) 59.5(2) ? 5_555 . . 8_555
Ca(2) Cl(1) Ca(3) P(3) -139.75(14) ? 5_555 . . 3_655
Ca(2) Cl(1) Ca(3) P(3) -25.47(19) ? 5_555 . . 5_555
Ca(2) Cl(1) Ca(3) O(1) -34.0(2) ? 5_555 . . 5_555
Ca(2) Cl(1) Ca(3) O(2) 178.24(10) ? 5_555 . . 3_655
Ca(2) Cl(1) Ca(3) O(3) -104.1(2) ? 5_555 . . 6_555
Ca(2) Cl(1) Ca(3) O(3) 41.7(2) ? 5_555 . . 9_555
Ca(2) Cl(1) Ca(3) O(3) 174.2(3) ? 5_555 . . 10_555
Ca(2) Cl(1) Ca(3) Ca(2) -61(2) ? 5_555 . 3_555 3_555
Ca(2) Cl(1) Ca(3) P(3) 27.0(2) ? 5_555 . 3_555 3_555
Ca(2) Cl(1) Ca(3) O(3) -1.6(2) ? 5_555 . 3_555 3_555
Ca(2) Cl(1) Ca(3) Cl(1) -59.6(2) ? 5_555 . 3_555 8_555
Ca(2) Cl(1) Ca(3) P(3) -144.6(2) ? 5_555 . 3_555 .
Ca(2) Cl(1) Ca(3) F(1) -59.6(2) ? 5_555 . 3_555 .
Ca(2) Cl(1) Ca(3) O(1) -153.1(2) ? 5_555 . 3_555 .
Ca(2) Cl(1) Ca(3) P(3) 88(2) ? 5_555 . 5_555 5_555
Ca(2) Cl(1) Ca(3) O(3) 59(2) ? 5_555 . 5_555 5_555
Ca(2) Cl(1) Ca(3) Cl(1) 1(2) ? 5_555 . 5_555 8_555
Ca(2) Cl(1) Ca(3) F(1) 1(2) ? 5_555 . 5_555 .
Ca(2) Cl(1) Ca(3) O(3) 116(3) ? 5_555 . 5_555 8_555
Cl(1) Cl(1) Ca(3) Ca(2) 178.9(7) ? 7_556 . . .
Cl(1) Cl(1) Ca(3) P(3) -93.46(4) ? 7_556 . . .
Cl(1) Cl(1) Ca(3) O(3) -122.06(3) ? 7_556 . . .
Cl(1) Cl(1) Ca(3) P(3) -19.3(2) ? 7_556 . . 3_655
Cl(1) Cl(1) Ca(3) P(3) 94.98(5) ? 7_556 . . 5_555
Cl(1) Cl(1) Ca(3) O(1) 86.49(5) ? 7_556 . . 5_555
Cl(1) Cl(1) Ca(3) O(2) -61.3(2) ? 7_556 . . 3_655
Cl(1) Cl(1) Ca(3) O(3) 16.38(3) ? 7_556 . . 6_555
Cl(1) Cl(1) Ca(3) O(3) 162.15(4) ? 7_556 . . 9_555
Cl(1) Cl(1) Ca(3) O(3) -65.34(7) ? 7_556 . . 10_555
Cl(1) Cl(1) Ca(3) Ca(2) 178.9(11) ? 7_556 . 3_555 3_555
Cl(1) Cl(1) Ca(3) P(3) -93.46(3) ? 7_556 . 3_555 3_555
Cl(1) Cl(1) Ca(3) O(3) -122.06(3) ? 7_556 . 3_555 3_555
Cl(1) Cl(1) Ca(3) P(3) 94.98(5) ? 7_556 . 3_555 .
Cl(1) Cl(1) Ca(3) O(1) 86.49(6) ? 7_556 . 3_555 .
Cl(1) Cl(1) Ca(3) Ca(2) 179(2) ? 7_556 . 5_555 5_555
Cl(1) Cl(1) Ca(3) P(3) -93.46(5) ? 7_556 . 5_555 5_555
Cl(1) Cl(1) Ca(3) O(3) -122.062(18) ? 7_556 . 5_555 5_555
Cl(1) Cl(1) Ca(3) O(3) -65.34(9) ? 7_556 . 5_555 8_555
Cl(1) Cl(1) Ca(3) Ca(2) -1.1(7) ? 8_555 . . .
Cl(1) Cl(1) Ca(3) P(3) 86.54(4) ? 8_555 . . .
Cl(1) Cl(1) Ca(3) O(3) 57.94(3) ? 8_555 . . .
Cl(1) Cl(1) Ca(3) P(3) 160.7(2) ? 8_555 . . 3_655
Cl(1) Cl(1) Ca(3) P(3) -85.02(5) ? 8_555 . . 5_555
Cl(1) Cl(1) Ca(3) O(1) -93.51(5) ? 8_555 . . 5_555
Cl(1) Cl(1) Ca(3) O(2) 118.7(2) ? 8_555 . . 3_655
Cl(1) Cl(1) Ca(3) O(3) -163.62(3) ? 8_555 . . 6_555
Cl(1) Cl(1) Ca(3) O(3) -17.85(4) ? 8_555 . . 9_555
Cl(1) Cl(1) Ca(3) O(3) 114.66(7) ? 8_555 . . 10_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.04(2) ? . . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) -119.96(4) ? . . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 120.04(4) ? . . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(10) ? . . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(10) ? . . 8_555 5_555
Cl(1) Cl(1) Ca(3) Ca(2) -1.1(11) ? 8_555 . 3_555 3_555
Cl(1) Cl(1) Ca(3) P(3) 86.54(3) ? 8_555 . 3_555 3_555
Cl(1) Cl(1) Ca(3) O(3) 57.94(3) ? 8_555 . 3_555 3_555
Cl(1) Cl(1) Ca(3) P(3) -85.02(5) ? 8_555 . 3_555 .
Cl(1) Cl(1) Ca(3) O(1) -93.51(6) ? 8_555 . 3_555 .
Ca(3) Cl(1) Cl(1) Ca(2) 120.04(9) ? 3_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) 0.04(4) ? 3_555 . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.96(10) ? 3_555 . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(10) ? 3_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(13) ? 3_555 . 8_555 5_555
Cl(1) Cl(1) Ca(3) Ca(2) -1(2) ? 8_555 . 5_555 5_555
Cl(1) Cl(1) Ca(3) P(3) 86.54(5) ? 8_555 . 5_555 5_555
Cl(1) Cl(1) Ca(3) O(3) 57.938(18) ? 8_555 . 5_555 5_555
Cl(1) Cl(1) Ca(3) O(3) 114.66(9) ? 8_555 . 5_555 8_555
Ca(3) Cl(1) Cl(1) Ca(2) -119.96(9) ? 5_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(2) 120.04(10) ? 5_555 . 8_555 3_555
Ca(3) Cl(1) Cl(1) Ca(2) 0.04(10) ? 5_555 . 8_555 5_555
Ca(3) Cl(1) Cl(1) Ca(3) -120.00(10) ? 5_555 . 8_555 .
Ca(3) Cl(1) Cl(1) Ca(3) 120.00(13) ? 5_555 . 8_555 3_555
F(1) Cl(1) Ca(3) Ca(2) -1.1(7) ? . . . .
F(1) Cl(1) Ca(3) P(3) 86.54(4) ? . . . .
F(1) Cl(1) Ca(3) O(3) 57.94(3) ? . . . .
F(1) Cl(1) Ca(3) P(3) 160.7(2) ? . . . 3_655
F(1) Cl(1) Ca(3) P(3) -85.02(5) ? . . . 5_555
F(1) Cl(1) Ca(3) O(1) -93.51(5) ? . . . 5_555
F(1) Cl(1) Ca(3) O(2) 118.7(2) ? . . . 3_655
F(1) Cl(1) Ca(3) O(3) -163.62(3) ? . . . 6_555
F(1) Cl(1) Ca(3) O(3) -17.85(4) ? . . . 9_555
F(1) Cl(1) Ca(3) O(3) 114.66(7) ? . . . 10_555
Ca(3) Cl(1) F(1) Ca(2) 0.04(2) ? . . . .
Ca(3) Cl(1) F(1) Ca(2) -119.96(4) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 120.04(4) ? . . . 5_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(10) ? . . . 3_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(10) ? . . . 5_555
F(1) Cl(1) Ca(3) Ca(2) -1.1(11) ? . . 3_555 3_555
F(1) Cl(1) Ca(3) P(3) 86.54(3) ? . . 3_555 3_555
F(1) Cl(1) Ca(3) O(3) 57.94(3) ? . . 3_555 3_555
F(1) Cl(1) Ca(3) P(3) -85.02(5) ? . . 3_555 .
F(1) Cl(1) Ca(3) O(1) -93.51(6) ? . . 3_555 .
Ca(3) Cl(1) F(1) Ca(2) 120.04(9) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 0.04(4) ? 3_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) -119.96(10) ? 3_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(3) 120.00(10) ? 3_555 . . .
Ca(3) Cl(1) F(1) Ca(3) -120.00(13) ? 3_555 . . 5_555
F(1) Cl(1) Ca(3) Ca(2) -1(2) ? . . 5_555 5_555
F(1) Cl(1) Ca(3) P(3) 86.54(5) ? . . 5_555 5_555
F(1) Cl(1) Ca(3) O(3) 57.938(18) ? . . 5_555 5_555
F(1) Cl(1) Ca(3) O(3) 114.66(9) ? . . 5_555 8_555
Ca(3) Cl(1) F(1) Ca(2) -119.96(9) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(2) 120.04(10) ? 5_555 . . 3_555
Ca(3) Cl(1) F(1) Ca(2) 0.04(10) ? 5_555 . . 5_555
Ca(3) Cl(1) F(1) Ca(3) -120.00(10) ? 5_555 . . .
Ca(3) Cl(1) F(1) Ca(3) 120.00(13) ? 5_555 . . 3_555
Ca(3) Cl(1) Ca(3) Ca(2) 60(2) ? . . 3_555 3_555
Ca(3) Cl(1) Ca(3) P(3) 147.9(2) ? . . 3_555 3_555
Ca(3) Cl(1) Ca(3) O(3) 119.3(2) ? . . 3_555 3_555
Ca(3) Cl(1) Ca(3) Cl(1) 61.4(2) ? . . 3_555 8_555
Ca(3) Cl(1) Ca(3) P(3) -23.65(18) ? . . 3_555 .
Ca(3) Cl(1) Ca(3) F(1) 61.4(2) ? . . 3_555 .
Ca(3) Cl(1) Ca(3) O(1) -32.1(2) ? . . 3_555 .
Ca(3) Cl(1) Ca(3) Ca(2) -62.5(7) ? 3_555 . . .
Ca(3) Cl(1) Ca(3) P(3) 25.2(2) ? 3_555 . . .
Ca(3) Cl(1) Ca(3) F(1) -61.4(2) ? 3_555 . . .
Ca(3) Cl(1) Ca(3) O(3) -3.4(2) ? 3_555 . . .
Ca(3) Cl(1) Ca(3) Cl(1) -61.4(2) ? 3_555 . . 8_555
Ca(3) Cl(1) Ca(3) P(3) 99.3(4) ? 3_555 . . 3_655
Ca(3) Cl(1) Ca(3) P(3) -146.4(2) ? 3_555 . . 5_555
Ca(3) Cl(1) Ca(3) O(1) -154.9(2) ? 3_555 . . 5_555
Ca(3) Cl(1) Ca(3) O(2) 57.3(4) ? 3_555 . . 3_655
Ca(3) Cl(1) Ca(3) O(3) 135.0(2) ? 3_555 . . 6_555
Ca(3) Cl(1) Ca(3) O(3) -79.2(2) ? 3_555 . . 9_555
Ca(3) Cl(1) Ca(3) O(3) 53.29(17) ? 3_555 . . 10_555
Ca(3) Cl(1) Ca(3) Ca(2) -62(3) ? . . 5_555 5_555
Ca(3) Cl(1) Ca(3) P(3) 25.2(2) ? . . 5_555 5_555
Ca(3) Cl(1) Ca(3) O(3) -3.4(2) ? . . 5_555 5_555
Ca(3) Cl(1) Ca(3) Cl(1) -61.4(2) ? . . 5_555 8_555
Ca(3) Cl(1) Ca(3) F(1) -61.4(2) ? . . 5_555 .
Ca(3) Cl(1) Ca(3) O(3) 53.29(17) ? . . 5_555 8_555
Ca(3) Cl(1) Ca(3) Ca(2) 60.3(7) ? 5_555 . . .
Ca(3) Cl(1) Ca(3) P(3) 147.9(2) ? 5_555 . . .
Ca(3) Cl(1) Ca(3) F(1) 61.4(2) ? 5_555 . . .
Ca(3) Cl(1) Ca(3) O(3) 119.3(2) ? 5_555 . . .
Ca(3) Cl(1) Ca(3) Cl(1) 61.4(2) ? 5_555 . . 8_555
Ca(3) Cl(1) Ca(3) P(3) -137.93(14) ? 5_555 . . 3_655
Ca(3) Cl(1) Ca(3) P(3) -23.65(18) ? 5_555 . . 5_555
Ca(3) Cl(1) Ca(3) O(1) -32.1(2) ? 5_555 . . 5_555
Ca(3) Cl(1) Ca(3) O(2) -179.94(7) ? 5_555 . . 3_655
Ca(3) Cl(1) Ca(3) O(3) -102.2(2) ? 5_555 . . 6_555
Ca(3) Cl(1) Ca(3) O(3) 43.5(2) ? 5_555 . . 9_555
Ca(3) Cl(1) Ca(3) O(3) 176.0(2) ? 5_555 . . 10_555
Ca(3) Cl(1) Ca(3) Ca(2) 60(3) ? 3_555 . 5_555 5_555
Ca(3) Cl(1) Ca(3) P(3) 147.9(2) ? 3_555 . 5_555 5_555
Ca(3) Cl(1) Ca(3) O(3) 119.3(2) ? 3_555 . 5_555 5_555
Ca(3) Cl(1) Ca(3) Cl(1) 61.4(2) ? 3_555 . 5_555 8_555
Ca(3) Cl(1) Ca(3) F(1) 61.4(2) ? 3_555 . 5_555 .
Ca(3) Cl(1) Ca(3) O(3) 176.0(3) ? 3_555 . 5_555 8_555
Ca(3) Cl(1) Ca(3) Ca(2) -62(2) ? 5_555 . 3_555 3_555
Ca(3) Cl(1) Ca(3) P(3) 25.2(2) ? 5_555 . 3_555 3_555
Ca(3) Cl(1) Ca(3) O(3) -3.4(2) ? 5_555 . 3_555 3_555
Ca(3) Cl(1) Ca(3) Cl(1) -61.4(2) ? 5_555 . 3_555 8_555
Ca(3) Cl(1) Ca(3) P(3) -146.4(2) ? 5_555 . 3_555 .
Ca(3) Cl(1) Ca(3) F(1) -61.4(2) ? 5_555 . 3_555 .
Ca(3) Cl(1) Ca(3) O(1) -154.9(2) ? 5_555 . 3_555 .
Ca(1) P(3) O(1) Ca(1) 119.363(17) ? 2_655 . . .
Ca(1) P(3) O(1) Ca(1) -18.63(4) ? 2_655 . . 8_565
Ca(1) P(3) O(1) Ca(2) -129.636(19) ? 2_655 . . 3_555
Ca(1) P(3) O(1) Ca(3) -129.636(19) ? 2_655 . . 3_555
Ca(1) P(3) O(2) Ca(1) 93.48(4) ? 2_655 . . 7_665
Ca(1) P(3) O(2) Ca(2) -133.26(2) ? 2_655 . . 5_665
Ca(1) P(3) O(2) Ca(3) -133.26(2) ? 2_655 . . 5_665
Ca(1) P(3) O(3) Ca(1) -41.251(18) ? 2_655 . . 7_665
Ca(1) P(3) O(3) Ca(2) 58.71(4) ? 2_655 . . .
Ca(1) P(3) O(3) Ca(3) 52.81(11) ? 2_655 . . .
Ca(1) P(3) O(3) Ca(2) -150.51(6) ? 2_655 . . 2_554
Ca(1) P(3) O(3) Ca(3) -142.45(17) ? 2_655 . . 2_554
Ca(1) P(3) O(3) Ca(2) -99.96(4) ? 2_655 . 10_555 .
Ca(1) P(3) O(3) Ca(3) -94.06(11) ? 2_655 . 10_555 .
Ca(1) P(3) Ca(3) Ca(2) 146.427(13) ? 2_655 . . .
Ca(1) P(3) Ca(3) Cl(1) 127.75(18) ? 2_655 . . .
Ca(1) P(3) Ca(3) F(1) 146.427(13) ? 2_655 . . .
Ca(1) P(3) Ca(3) O(3) -130.77(8) ? 2_655 . . .
Ca(1) P(3) Ca(3) Cl(1) 165.11(19) ? 2_655 . . 8_555
Ca(1) P(3) Ca(3) P(3) -33.573(13) ? 2_655 . . 3_655
Ca(1) P(3) Ca(3) P(3) 146.427(13) ? 2_655 . . 5_555
Ca(1) P(3) Ca(3) O(1) -34(112) ? 2_655 . . 5_555
Ca(1) P(3) Ca(3) O(2) -33.573(13) ? 2_655 . . 3_655
Ca(1) P(3) Ca(3) O(3) 51.86(14) ? 2_655 . . 6_555
Ca(1) P(3) Ca(3) O(3) -119.00(16) ? 2_655 . . 9_555
Ca(1) P(3) Ca(3) O(3) 63.62(5) ? 2_655 . . 10_555
Ca(1) P(3) Ca(3) Ca(2) -62.12(3) ? 2_655 . 3_555 3_555
Ca(1) P(3) Ca(3) P(3) -62.12(3) ? 2_655 . 3_555 3_555
Ca(1) P(3) Ca(3) O(3) -109.71(4) ? 2_655 . 3_555 3_555
Ca(1) P(3) Ca(3) Cl(1) -43.11(19) ? 2_655 . 3_555 .
Ca(1) P(3) Ca(3) Cl(1) -81.13(19) ? 2_655 . 3_555 8_555
Ca(1) P(3) Ca(3) F(1) -62.12(3) ? 2_655 . 3_555 .
Ca(1) P(3) Ca(3) O(1) 117.88(3) ? 2_655 . 3_555 .
Ca(1) P(3) Ca(3) Ca(2) 33.929(13) ? 2_655 . 5_665 5_665
Ca(1) P(3) Ca(3) P(3) 33.929(13) ? 2_655 . 5_665 5_665
Ca(1) P(3) Ca(3) O(3) 63.13(7) ? 2_655 . 5_665 5_665
Ca(1) P(3) Ca(3) O(2) 33.929(13) ? 2_655 . 5_665 .
Ca(1) P(3) O(1) Ca(1) 18.64(4) ? 7_665 . . .
Ca(1) P(3) O(1) Ca(1) -119.360(17) ? 7_665 . . 8_565
Ca(1) P(3) O(1) Ca(2) 129.637(19) ? 7_665 . . 3_555
Ca(1) P(3) O(1) Ca(3) 129.637(19) ? 7_665 . . 3_555
Ca(1) P(3) O(2) Ca(1) -93.48(4) ? 7_665 . . 2_655
Ca(1) P(3) O(2) Ca(2) 133.26(2) ? 7_665 . . 5_665
Ca(1) P(3) O(2) Ca(3) 133.26(2) ? 7_665 . . 5_665
Ca(1) P(3) O(3) Ca(2) 99.96(4) ? 7_665 . . .
Ca(1) P(3) O(3) Ca(3) 94.06(11) ? 7_665 . . .
Ca(1) P(3) O(3) Ca(2) -109.26(7) ? 7_665 . . 2_554
Ca(1) P(3) O(3) Ca(3) -101.20(17) ? 7_665 . . 2_554
Ca(1) P(3) O(3) Ca(2) -58.71(4) ? 7_665 . 10_555 .
Ca(1) P(3) O(3) Ca(3) -52.81(11) ? 7_665 . 10_555 .
Ca(1) P(3) Ca(3) Ca(2) -146.428(13) ? 7_665 . . .
Ca(1) P(3) Ca(3) Cl(1) -165.11(18) ? 7_665 . . .
Ca(1) P(3) Ca(3) F(1) -146.428(13) ? 7_665 . . .
Ca(1) P(3) Ca(3) O(3) -63.62(5) ? 7_665 . . .
Ca(1) P(3) Ca(3) Cl(1) -127.75(18) ? 7_665 . . 8_555
Ca(1) P(3) Ca(3) P(3) 33.572(13) ? 7_665 . . 3_655
Ca(1) P(3) Ca(3) P(3) -146.428(13) ? 7_665 . . 5_555
Ca(1) P(3) Ca(3) O(1) 34(112) ? 7_665 . . 5_555
Ca(1) P(3) Ca(3) O(2) 33.572(13) ? 7_665 . . 3_655
Ca(1) P(3) Ca(3) O(3) 119.00(16) ? 7_665 . . 6_555
Ca(1) P(3) Ca(3) O(3) -51.86(14) ? 7_665 . . 9_555
Ca(1) P(3) Ca(3) O(3) 130.76(8) ? 7_665 . . 10_555
Ca(1) P(3) Ca(3) Ca(2) 62.12(3) ? 7_665 . 3_555 3_555
Ca(1) P(3) Ca(3) P(3) 62.12(3) ? 7_665 . 3_555 3_555
Ca(1) P(3) Ca(3) O(3) 14.52(10) ? 7_665 . 3_555 3_555
Ca(1) P(3) Ca(3) Cl(1) 81.13(19) ? 7_665 . 3_555 .
Ca(1) P(3) Ca(3) Cl(1) 43.11(19) ? 7_665 . 3_555 8_555
Ca(1) P(3) Ca(3) F(1) 62.12(3) ? 7_665 . 3_555 .
Ca(1) P(3) Ca(3) O(1) -117.88(3) ? 7_665 . 3_555 .
Ca(1) P(3) Ca(3) Ca(2) -33.928(13) ? 7_665 . 5_665 5_665
Ca(1) P(3) Ca(3) P(3) -33.928(13) ? 7_665 . 5_665 5_665
Ca(1) P(3) Ca(3) O(3) -4.72(4) ? 7_665 . 5_665 5_665
Ca(1) P(3) Ca(3) O(2) -33.928(13) ? 7_665 . 5_665 .
Ca(2) P(3) O(1) Ca(1) -111.00(3) ? . . . .
Ca(2) P(3) O(1) Ca(1) 111.00(3) ? . . . 8_565
Ca(2) P(3) O(2) Ca(1) -46.74(2) ? . . . 2_655
Ca(2) P(3) O(2) Ca(1) 46.74(2) ? . . . 7_665
Ca(2) P(3) O(3) Ca(1) -99.96(4) ? . . . 7_665
Ca(2) P(3) O(3) Ca(3) -5.90(11) ? . . . .
Ca(2) P(3) O(3) Ca(2) 150.78(8) ? . . . 2_554
Ca(2) P(3) O(3) Ca(3) 158.84(18) ? . . . 2_554
Ca(2) P(3) O(3) Ca(3) 5.90(11) ? . . 10_555 .
Ca(2) P(3) Ca(3) Cl(1) -18.68(18) ? . . . .
Ca(2) P(3) Ca(3) O(3) 82.81(7) ? . . . .
Ca(2) P(3) Ca(3) Cl(1) 18.68(18) ? . . . 8_555
Ca(2) P(3) Ca(3) O(3) -94.57(15) ? . . . 6_555
Ca(2) P(3) Ca(3) O(3) 94.57(15) ? . . . 9_555
Ca(2) P(3) Ca(3) O(3) -82.81(7) ? . . . 10_555
Ca(2) P(3) Ca(3) O(3) -47.59(7) ? . . 3_555 3_555
Ca(2) P(3) Ca(3) Cl(1) 19.01(18) ? . . 3_555 .
Ca(2) P(3) Ca(3) Cl(1) -19.01(18) ? . . 3_555 8_555
Ca(2) P(3) Ca(3) O(3) 29.20(5) ? . . 5_665 5_665
Ca(2) P(3) O(1) Ca(1) -111.00(3) ? 3_555 . . .
Ca(2) P(3) O(1) Ca(1) 111.00(3) ? 3_555 . . 8_565
Ca(2) P(3) O(2) Ca(1) 133.26(2) ? 3_555 . . 2_655
Ca(2) P(3) O(2) Ca(1) -133.26(2) ? 3_555 . . 7_665
Ca(2) P(3) O(3) Ca(1) 178.395(17) ? 3_555 . . 7_665
Ca(2) P(3) O(3) Ca(2) -81.65(4) ? 3_555 . . .
Ca(2) P(3) O(3) Ca(3) -87.55(11) ? 3_555 . . .
Ca(2) P(3) O(3) Ca(2) 69.13(6) ? 3_555 . . 2_554
Ca(2) P(3) O(3) Ca(3) 77.20(17) ? 3_555 . . 2_554
Ca(2) P(3) O(3) Ca(2) 81.65(4) ? 3_555 . 10_555 .
Ca(2) P(3) O(3) Ca(3) 87.55(11) ? 3_555 . 10_555 .
Ca(2) P(3) Ca(3) Cl(1) -18.68(18) ? 3_555 . . .
Ca(2) P(3) Ca(3) O(3) 82.81(7) ? 3_555 . . .
Ca(2) P(3) Ca(3) Cl(1) 18.68(18) ? 3_555 . . 8_555
Ca(2) P(3) Ca(3) O(3) -94.57(15) ? 3_555 . . 6_555
Ca(2) P(3) Ca(3) O(3) 94.57(15) ? 3_555 . . 9_555
Ca(2) P(3) Ca(3) O(3) -82.81(7) ? 3_555 . . 10_555
Ca(2) P(3) Ca(3) O(3) -47.59(7) ? 3_555 . 3_555 3_555
Ca(2) P(3) Ca(3) Cl(1) 19.01(18) ? 3_555 . 3_555 .
Ca(2) P(3) Ca(3) Cl(1) -19.01(18) ? 3_555 . 3_555 8_555
Ca(2) P(3) Ca(3) O(3) -150.80(5) ? 3_555 . 5_665 5_665
O(1) P(3) O(2) Ca(1) 133.26(2) ? . . . 2_655
O(1) P(3) O(2) Ca(1) -133.26(2) ? . . . 7_665
O(2) P(3) O(1) Ca(1) 69.00(3) ? . . . .
O(2) P(3) O(1) Ca(1) -69.00(3) ? . . . 8_565
O(1) P(3) O(3) Ca(1) 131.46(2) ? . . . 7_665
O(1) P(3) O(3) Ca(2) -128.58(4) ? . . . .
O(1) P(3) O(3) Ca(3) -134.48(11) ? . . . .
O(1) P(3) O(3) Ca(2) 22.20(7) ? . . . 2_554
O(1) P(3) O(3) Ca(3) 30.27(17) ? . . . 2_554
O(3) P(3) O(1) Ca(1) -50.97(4) ? . . . .
O(3) P(3) O(1) Ca(1) 171.04(3) ? . . . 8_565
O(3) P(3) O(1) Ca(2) 60.03(2) ? . . . 3_555
O(3) P(3) O(1) Ca(3) 60.03(2) ? . . . 3_555
O(1) P(3) O(3) Ca(2) 128.58(4) ? . . 10_555 .
O(1) P(3) O(3) Ca(3) 134.48(11) ? . . 10_555 .
O(3) P(3) O(1) Ca(1) -171.03(3) ? 10_555 . . .
O(3) P(3) O(1) Ca(1) 50.97(4) ? 10_555 . . 8_565
O(3) P(3) O(1) Ca(2) -60.03(2) ? 10_555 . . 3_555
O(3) P(3) O(1) Ca(3) -60.03(2) ? 10_555 . . 3_555
O(1) P(3) Ca(3) Cl(1) -18.68(18) ? . . . .
O(1) P(3) Ca(3) O(3) 82.81(7) ? . . . .
O(1) P(3) Ca(3) Cl(1) 18.68(18) ? . . . 8_555
O(1) P(3) Ca(3) O(3) -94.57(15) ? . . . 6_555
O(1) P(3) Ca(3) O(3) 94.57(15) ? . . . 9_555
O(1) P(3) Ca(3) O(3) -82.81(7) ? . . . 10_555
Ca(3) P(3) O(1) Ca(1) -111.00(3) ? . . . .
Ca(3) P(3) O(1) Ca(1) 111.00(3) ? . . . 8_565
O(1) P(3) Ca(3) O(3) 132.41(7) ? . . 3_555 3_555
O(1) P(3) Ca(3) Cl(1) -160.99(18) ? . . 3_555 .
O(1) P(3) Ca(3) Cl(1) 160.99(18) ? . . 3_555 8_555
Ca(3) P(3) O(1) Ca(1) -111.00(3) ? 3_555 . . .
Ca(3) P(3) O(1) Ca(1) 111.00(3) ? 3_555 . . 8_565
O(1) P(3) Ca(3) O(3) -150.80(5) ? . . 5_665 5_665
Ca(3) P(3) O(1) Ca(1) 69.00(3) ? 5_665 . . .
Ca(3) P(3) O(1) Ca(1) -69.00(3) ? 5_665 . . 8_565
O(2) P(3) O(3) Ca(1) 9.37(3) ? . . . 7_665
O(2) P(3) O(3) Ca(2) 109.33(4) ? . . . .
O(2) P(3) O(3) Ca(3) 103.43(11) ? . . . .
O(2) P(3) O(3) Ca(2) -99.89(7) ? . . . 2_554
O(2) P(3) O(3) Ca(3) -91.83(17) ? . . . 2_554
O(3) P(3) O(2) Ca(1) -104.58(2) ? . . . 2_655
O(3) P(3) O(2) Ca(1) -11.10(4) ? . . . 7_665
O(3) P(3) O(2) Ca(2) 122.16(2) ? . . . 5_665
O(3) P(3) O(2) Ca(3) 122.16(2) ? . . . 5_665
O(2) P(3) O(3) Ca(2) -109.33(4) ? . . 10_555 .
O(2) P(3) O(3) Ca(3) -103.43(11) ? . . 10_555 .
O(3) P(3) O(2) Ca(1) 11.10(4) ? 10_555 . . 2_655
O(3) P(3) O(2) Ca(1) 104.58(2) ? 10_555 . . 7_665
O(3) P(3) O(2) Ca(2) -122.16(2) ? 10_555 . . 5_665
O(3) P(3) O(2) Ca(3) -122.16(2) ? 10_555 . . 5_665
O(2) P(3) Ca(3) Cl(1) 161.32(18) ? . . . .
O(2) P(3) Ca(3) O(3) -97.19(7) ? . . . .
O(2) P(3) Ca(3) Cl(1) -161.32(18) ? . . . 8_555
O(2) P(3) Ca(3) O(3) 85.43(15) ? . . . 6_555
O(2) P(3) Ca(3) O(3) -85.43(15) ? . . . 9_555
O(2) P(3) Ca(3) O(3) 97.19(7) ? . . . 10_555
Ca(3) P(3) O(2) Ca(1) -46.74(2) ? . . . 2_655
Ca(3) P(3) O(2) Ca(1) 46.74(2) ? . . . 7_665
O(2) P(3) Ca(3) O(3) 132.41(7) ? . . 3_555 3_555
O(2) P(3) Ca(3) Cl(1) -160.99(18) ? . . 3_555 .
O(2) P(3) Ca(3) Cl(1) 160.99(18) ? . . 3_555 8_555
Ca(3) P(3) O(2) Ca(1) 133.26(2) ? 3_555 . . 2_655
Ca(3) P(3) O(2) Ca(1) -133.26(2) ? 3_555 . . 7_665
O(2) P(3) Ca(3) O(3) 29.20(5) ? . . 5_665 5_665
Ca(3) P(3) O(2) Ca(1) 133.26(2) ? 5_665 . . 2_655
Ca(3) P(3) O(2) Ca(1) -133.26(2) ? 5_665 . . 7_665
O(3) P(3) O(3) Ca(2) 6.34(5) ? . . 10_555 .
O(3) P(3) O(3) Ca(3) 12.24(11) ? . . 10_555 .
O(3) P(3) O(3) Ca(1) -106.30(3) ? 10_555 . . 7_665
O(3) P(3) O(3) Ca(2) -6.34(5) ? 10_555 . . .
O(3) P(3) O(3) Ca(3) -12.24(11) ? 10_555 . . .
O(3) P(3) O(3) Ca(2) 144.44(6) ? 10_555 . . 2_554
O(3) P(3) O(3) Ca(3) 152.51(17) ? 10_555 . . 2_554
O(3) P(3) Ca(3) Ca(2) -82.81(7) ? . . . .
O(3) P(3) Ca(3) Cl(1) -101.5(2) ? . . . .
O(3) P(3) Ca(3) F(1) -82.81(7) ? . . . .
O(3) P(3) Ca(3) Cl(1) -64.13(19) ? . . . 8_555
O(3) P(3) Ca(3) P(3) 97.19(7) ? . . . 3_655
O(3) P(3) Ca(3) P(3) -82.81(7) ? . . . 5_555
O(3) P(3) Ca(3) O(1) 97(14) ? . . . 5_555
O(3) P(3) Ca(3) O(2) 97.19(7) ? . . . 3_655
O(3) P(3) Ca(3) O(3) -177.4(2) ? . . . 6_555
O(3) P(3) Ca(3) O(3) 11.76(9) ? . . . 9_555
O(3) P(3) Ca(3) O(3) -165.61(13) ? . . . 10_555
Ca(3) P(3) O(3) Ca(1) -94.06(11) ? . . . 7_665
Ca(3) P(3) O(3) Ca(2) 5.90(11) ? . . . .
Ca(3) P(3) O(3) Ca(2) 156.68(13) ? . . . 2_554
Ca(3) P(3) O(3) Ca(3) 164.7(2) ? . . . 2_554
O(3) P(3) Ca(3) Ca(2) 54.58(2) ? . . 3_555 3_555
O(3) P(3) Ca(3) P(3) 54.58(2) ? . . 3_555 3_555
O(3) P(3) Ca(3) O(3) 6.98(7) ? . . 3_555 3_555
O(3) P(3) Ca(3) Cl(1) 73.59(18) ? . . 3_555 .
O(3) P(3) Ca(3) Cl(1) 35.57(18) ? . . 3_555 8_555
O(3) P(3) Ca(3) F(1) 54.58(2) ? . . 3_555 .
O(3) P(3) Ca(3) O(1) -125.42(2) ? . . 3_555 .
Ca(3) P(3) O(3) Ca(1) 174.76(2) ? 3_555 . . 7_665
Ca(3) P(3) O(3) Ca(2) -85.28(4) ? 3_555 . . .
Ca(3) P(3) O(3) Ca(3) -91.19(11) ? 3_555 . . .
Ca(3) P(3) O(3) Ca(2) 65.49(7) ? 3_555 . . 2_554
Ca(3) P(3) O(3) Ca(3) 73.56(17) ? 3_555 . . 2_554
O(3) P(3) Ca(3) Ca(2) -73.04(6) ? . . 5_665 5_665
O(3) P(3) Ca(3) P(3) -73.04(6) ? . . 5_665 5_665
O(3) P(3) Ca(3) O(3) -43.83(11) ? . . 5_665 5_665
O(3) P(3) Ca(3) O(2) -73.04(6) ? . . 5_665 .
Ca(3) P(3) O(3) Ca(1) 44.10(9) ? 5_665 . . 7_665
Ca(3) P(3) O(3) Ca(2) 144.06(10) ? 5_665 . . .
Ca(3) P(3) O(3) Ca(3) 138.15(14) ? 5_665 . . .
Ca(3) P(3) O(3) Ca(2) -65.17(12) ? 5_665 . . 2_554
Ca(3) P(3) O(3) Ca(3) -57.1(2) ? 5_665 . . 2_554
O(3) P(3) Ca(3) Ca(2) 82.81(7) ? 10_555 . . .
O(3) P(3) Ca(3) Cl(1) 64.13(19) ? 10_555 . . .
O(3) P(3) Ca(3) F(1) 82.81(7) ? 10_555 . . .
O(3) P(3) Ca(3) O(3) 165.61(13) ? 10_555 . . .
O(3) P(3) Ca(3) Cl(1) 101.5(2) ? 10_555 . . 8_555
O(3) P(3) Ca(3) P(3) -97.19(7) ? 10_555 . . 3_655
O(3) P(3) Ca(3) P(3) 82.81(7) ? 10_555 . . 5_555
O(3) P(3) Ca(3) O(1) -97(14) ? 10_555 . . 5_555
O(3) P(3) Ca(3) O(2) -97.19(7) ? 10_555 . . 3_655
O(3) P(3) Ca(3) O(3) -11.76(9) ? 10_555 . . 6_555
O(3) P(3) Ca(3) O(3) 177.4(2) ? 10_555 . . 9_555
Ca(3) P(3) O(3) Ca(2) -5.90(11) ? . . 10_555 .
O(3) P(3) Ca(3) Ca(2) -54.58(2) ? 10_555 . 3_555 3_555
O(3) P(3) Ca(3) P(3) -54.58(2) ? 10_555 . 3_555 3_555
O(3) P(3) Ca(3) O(3) -102.17(7) ? 10_555 . 3_555 3_555
O(3) P(3) Ca(3) Cl(1) -35.57(18) ? 10_555 . 3_555 .
O(3) P(3) Ca(3) Cl(1) -73.59(19) ? 10_555 . 3_555 8_555
O(3) P(3) Ca(3) F(1) -54.58(2) ? 10_555 . 3_555 .
O(3) P(3) Ca(3) O(1) 125.42(2) ? 10_555 . 3_555 .
Ca(3) P(3) O(3) Ca(2) 85.28(4) ? 3_555 . 10_555 .
Ca(3) P(3) O(3) Ca(3) 91.19(11) ? 3_555 . 10_555 .
O(3) P(3) Ca(3) Ca(2) 73.04(6) ? 10_555 . 5_665 5_665
O(3) P(3) Ca(3) P(3) 73.04(6) ? 10_555 . 5_665 5_665
O(3) P(3) Ca(3) O(3) 102.24(3) ? 10_555 . 5_665 5_665
O(3) P(3) Ca(3) O(2) 73.04(6) ? 10_555 . 5_665 .
Ca(3) P(3) O(3) Ca(2) -144.06(10) ? 5_665 . 10_555 .
Ca(3) P(3) O(3) Ca(3) -138.15(14) ? 5_665 . 10_555 .
Ca(3) P(3) Ca(3) O(3) -47.59(7) ? . . 3_555 3_555
Ca(3) P(3) Ca(3) Cl(1) 19.01(18) ? . . 3_555 .
Ca(3) P(3) Ca(3) Cl(1) -19.01(18) ? . . 3_555 8_555
Ca(3) P(3) Ca(3) Cl(1) -18.68(18) ? 3_555 . . .
Ca(3) P(3) Ca(3) O(3) 82.81(7) ? 3_555 . . .
Ca(3) P(3) Ca(3) Cl(1) 18.68(18) ? 3_555 . . 8_555
Ca(3) P(3) Ca(3) O(3) -94.57(15) ? 3_555 . . 6_555
Ca(3) P(3) Ca(3) O(3) 94.57(15) ? 3_555 . . 9_555
Ca(3) P(3) Ca(3) O(3) -82.81(7) ? 3_555 . . 10_555
Ca(3) P(3) Ca(3) O(3) 29.20(5) ? . . 5_665 5_665
Ca(3) P(3) Ca(3) Cl(1) 161.32(18) ? 5_665 . . .
Ca(3) P(3) Ca(3) O(3) -97.19(7) ? 5_665 . . .
Ca(3) P(3) Ca(3) Cl(1) -161.32(18) ? 5_665 . . 8_555
Ca(3) P(3) Ca(3) O(3) 85.43(15) ? 5_665 . . 6_555
Ca(3) P(3) Ca(3) O(3) -85.43(15) ? 5_665 . . 9_555
Ca(3) P(3) Ca(3) O(3) 97.19(7) ? 5_665 . . 10_555
Ca(3) P(3) Ca(3) O(3) -150.80(5) ? 3_555 . 5_665 5_665
Ca(3) P(3) Ca(3) O(3) 132.41(7) ? 5_665 . 3_555 3_555
Ca(3) P(3) Ca(3) Cl(1) -160.99(18) ? 5_665 . 3_555 .
Ca(3) P(3) Ca(3) Cl(1) 160.99(18) ? 5_665 . 3_555 8_555
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? . . . .
Ca(2) F(1) Ca(3) O(3) 150.236(16) ? . . . .
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? . . . 8_555
Ca(2) F(1) Ca(3) O(3) -73.74(3) ? . . . 6_555
Ca(2) F(1) Ca(3) O(3) 73.74(3) ? . . . 9_555
Ca(2) F(1) Ca(3) O(3) -150.236(16) ? . . . 10_555
Ca(2) F(1) Ca(3) O(3) 150.24(4) ? . . 3_555 3_555
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? . . 3_555 .
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? . . 3_555 8_555
Ca(2) F(1) Ca(3) O(3) -29.76(4) ? . . 5_555 5_555
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? . . 5_555 .
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? . . 5_555 8_555
Ca(2) F(1) Ca(3) O(3) 29.76(4) ? . . 5_555 8_555
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? 3_555 . . .
Ca(2) F(1) Ca(3) O(3) -29.764(16) ? 3_555 . . .
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? 3_555 . . 8_555
Ca(2) F(1) Ca(3) O(3) 106.26(3) ? 3_555 . . 6_555
Ca(2) F(1) Ca(3) O(3) -106.26(3) ? 3_555 . . 9_555
Ca(2) F(1) Ca(3) O(3) 29.764(16) ? 3_555 . . 10_555
Ca(2) F(1) Ca(3) O(3) 150(120) ? 3_555 . 3_555 3_555
Ca(2) F(1) Ca(3) Cl(1) -90.000002(8) ? 3_555 . 3_555 .
Ca(2) F(1) Ca(3) Cl(1) 89.999993(8) ? 3_555 . 3_555 8_555
Ca(2) F(1) Ca(3) O(3) 150.24(4) ? 3_555 . 5_555 5_555
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? 3_555 . 5_555 .
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? 3_555 . 5_555 8_555
Ca(2) F(1) Ca(3) O(3) -150.24(4) ? 3_555 . 5_555 8_555
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? 5_555 . . .
Ca(2) F(1) Ca(3) O(3) 150.236(16) ? 5_555 . . .
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? 5_555 . . 8_555
Ca(2) F(1) Ca(3) O(3) -73.74(3) ? 5_555 . . 6_555
Ca(2) F(1) Ca(3) O(3) 73.74(3) ? 5_555 . . 9_555
Ca(2) F(1) Ca(3) O(3) -150.236(16) ? 5_555 . . 10_555
Ca(2) F(1) Ca(3) O(3) -29.76(4) ? 5_555 . 3_555 3_555
Ca(2) F(1) Ca(3) Cl(1) 90.0 ? 5_555 . 3_555 .
Ca(2) F(1) Ca(3) Cl(1) -90.0 ? 5_555 . 3_555 8_555
Ca(2) F(1) Ca(3) O(3) 150(150) ? 5_555 . 5_555 5_555
Ca(2) F(1) Ca(3) Cl(1) -90(89) ? 5_555 . 5_555 .
Ca(2) F(1) Ca(3) Cl(1) 90(89) ? 5_555 . 5_555 8_555
Ca(2) F(1) Ca(3) O(3) -150(150) ? 5_555 . 5_555 8_555
Cl(1) F(1) Ca(3) Ca(2) 90.0 ? . . . .
Cl(1) F(1) Ca(3) P(3) -90.0 ? . . . .
Cl(1) F(1) Ca(3) O(3) -119.764(16) ? . . . .
Cl(1) F(1) Ca(3) P(3) -90.0 ? . . . 3_655
Cl(1) F(1) Ca(3) P(3) 90.0 ? . . . 5_555
Cl(1) F(1) Ca(3) O(1) 90.0 ? . . . 5_555
Cl(1) F(1) Ca(3) O(2) -90.0 ? . . . 3_655
Cl(1) F(1) Ca(3) O(3) 16.26(3) ? . . . 6_555
Cl(1) F(1) Ca(3) O(3) 163.74(3) ? . . . 9_555
Cl(1) F(1) Ca(3) O(3) -60.236(16) ? . . . 10_555
Cl(1) F(1) Ca(3) Ca(2) 90.000002(8) ? . . 3_555 3_555
Cl(1) F(1) Ca(3) P(3) -90.0 ? . . 3_555 3_555
Cl(1) F(1) Ca(3) O(3) -119.76(4) ? . . 3_555 3_555
Cl(1) F(1) Ca(3) P(3) 90.0 ? . . 3_555 .
Cl(1) F(1) Ca(3) O(1) 90.0 ? . . 3_555 .
Cl(1) F(1) Ca(3) Ca(2) 90.0 ? . . 5_555 5_555
Cl(1) F(1) Ca(3) P(3) -90.0 ? . . 5_555 5_555
Cl(1) F(1) Ca(3) O(3) -119.76(4) ? . . 5_555 5_555
Cl(1) F(1) Ca(3) O(3) -60.24(4) ? . . 5_555 8_555
Cl(1) F(1) Ca(3) Ca(2) -90.0 ? 8_555 . . .
Cl(1) F(1) Ca(3) P(3) 90.0 ? 8_555 . . .
Cl(1) F(1) Ca(3) O(3) 60.236(16) ? 8_555 . . .
Cl(1) F(1) Ca(3) P(3) 90.0 ? 8_555 . . 3_655
Cl(1) F(1) Ca(3) P(3) -90.0 ? 8_555 . . 5_555
Cl(1) F(1) Ca(3) O(1) -90.0 ? 8_555 . . 5_555
Cl(1) F(1) Ca(3) O(2) 90.0 ? 8_555 . . 3_655
Cl(1) F(1) Ca(3) O(3) -163.74(3) ? 8_555 . . 6_555
Cl(1) F(1) Ca(3) O(3) -16.26(3) ? 8_555 . . 9_555
Cl(1) F(1) Ca(3) O(3) 119.764(16) ? 8_555 . . 10_555
Cl(1) F(1) Ca(3) Ca(2) -89.999993(8) ? 8_555 . 3_555 3_555
Cl(1) F(1) Ca(3) P(3) 90.0 ? 8_555 . 3_555 3_555
Cl(1) F(1) Ca(3) O(3) 60.24(4) ? 8_555 . 3_555 3_555
Cl(1) F(1) Ca(3) P(3) -90.0 ? 8_555 . 3_555 .
Cl(1) F(1) Ca(3) O(1) -90.0 ? 8_555 . 3_555 .
Cl(1) F(1) Ca(3) Ca(2) -90.0 ? 8_555 . 5_555 5_555
Cl(1) F(1) Ca(3) P(3) 90.0 ? 8_555 . 5_555 5_555
Cl(1) F(1) Ca(3) O(3) 60.24(4) ? 8_555 . 5_555 5_555
Cl(1) F(1) Ca(3) O(3) 119.76(4) ? 8_555 . 5_555 8_555
Ca(3) F(1) Ca(3) O(3) 150.24(4) ? . . 3_555 3_555
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? . . 3_555 .
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? . . 3_555 8_555
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? 3_555 . . .
Ca(3) F(1) Ca(3) O(3) -29.764(16) ? 3_555 . . .
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? 3_555 . . 8_555
Ca(3) F(1) Ca(3) O(3) 106.26(3) ? 3_555 . . 6_555
Ca(3) F(1) Ca(3) O(3) -106.26(3) ? 3_555 . . 9_555
Ca(3) F(1) Ca(3) O(3) 29.764(16) ? 3_555 . . 10_555
Ca(3) F(1) Ca(3) O(3) -29.76(4) ? . . 5_555 5_555
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? . . 5_555 .
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? . . 5_555 8_555
Ca(3) F(1) Ca(3) O(3) 29.76(4) ? . . 5_555 8_555
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? 5_555 . . .
Ca(3) F(1) Ca(3) O(3) 150.236(16) ? 5_555 . . .
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? 5_555 . . 8_555
Ca(3) F(1) Ca(3) O(3) -73.74(3) ? 5_555 . . 6_555
Ca(3) F(1) Ca(3) O(3) 73.74(3) ? 5_555 . . 9_555
Ca(3) F(1) Ca(3) O(3) -150.236(16) ? 5_555 . . 10_555
Ca(3) F(1) Ca(3) O(3) 150.24(4) ? 3_555 . 5_555 5_555
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? 3_555 . 5_555 .
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? 3_555 . 5_555 8_555
Ca(3) F(1) Ca(3) O(3) -150.24(4) ? 3_555 . 5_555 8_555
Ca(3) F(1) Ca(3) O(3) -29.76(4) ? 5_555 . 3_555 3_555
Ca(3) F(1) Ca(3) Cl(1) 90.0 ? 5_555 . 3_555 .
Ca(3) F(1) Ca(3) Cl(1) -90.0 ? 5_555 . 3_555 8_555
Ca(1) O(1) Ca(3) Ca(2) 134.333(17) ? . . 3_555 3_555
Ca(1) O(1) Ca(3) P(3) -45.667(17) ? . . 3_555 3_555
Ca(1) O(1) Ca(3) O(3) 51.2(3) ? . . 3_555 3_555
Ca(1) O(1) Ca(3) Cl(1) 153.02(18) ? . . 3_555 .
Ca(1) O(1) Ca(3) Cl(1) 115.64(18) ? . . 3_555 8_555
Ca(1) O(1) Ca(3) P(3) 134.333(17) ? . . 3_555 .
Ca(1) O(1) Ca(3) F(1) 134.333(17) ? . . 3_555 .
Ca(1) O(1) Ca(3) Ca(2) -134.332(17) ? 8_565 . 3_555 3_555
Ca(1) O(1) Ca(3) P(3) 45.668(17) ? 8_565 . 3_555 3_555
Ca(1) O(1) Ca(3) O(3) 142.6(2) ? 8_565 . 3_555 3_555
Ca(1) O(1) Ca(3) Cl(1) -115.64(18) ? 8_565 . 3_555 .
Ca(1) O(1) Ca(3) Cl(1) -153.02(18) ? 8_565 . 3_555 8_555
Ca(1) O(1) Ca(3) P(3) -134.332(17) ? 8_565 . 3_555 .
Ca(1) O(1) Ca(3) F(1) -134.332(17) ? 8_565 . 3_555 .
Ca(2) O(1) Ca(3) O(3) -83.1(2) ? 3_555 . 3_555 3_555
Ca(2) O(1) Ca(3) Cl(1) 18.69(18) ? 3_555 . 3_555 .
Ca(2) O(1) Ca(3) Cl(1) -18.69(18) ? 3_555 . 3_555 8_555
P(3) O(1) Ca(3) O(3) -83.1(2) ? . . 3_555 3_555
P(3) O(1) Ca(3) Cl(1) 18.69(18) ? . . 3_555 .
P(3) O(1) Ca(3) Cl(1) -18.69(18) ? . . 3_555 8_555
Ca(1) O(2) Ca(3) Ca(2) 51.23(5) ? 2_655 . 5_665 5_665
Ca(1) O(2) Ca(3) P(3) 51.23(5) ? 2_655 . 5_665 5_665
Ca(1) O(2) Ca(3) O(3) 81.01(3) ? 2_655 . 5_665 5_665
Ca(1) O(2) Ca(3) P(3) -128.77(5) ? 2_655 . 5_665 .
Ca(1) O(2) Ca(3) Ca(2) -51.22(5) ? 7_665 . 5_665 5_665
Ca(1) O(2) Ca(3) P(3) -51.22(5) ? 7_665 . 5_665 5_665
Ca(1) O(2) Ca(3) O(3) -21.43(9) ? 7_665 . 5_665 5_665
Ca(1) O(2) Ca(3) P(3) 128.78(5) ? 7_665 . 5_665 .
Ca(2) O(2) Ca(3) O(3) 29.79(4) ? 5_665 . 5_665 5_665
P(3) O(2) Ca(3) O(3) -150.21(4) ? . . 5_665 5_665
Ca(1) O(3) Ca(3) Ca(2) -177.75(12) ? 7_665 . . .
Ca(1) O(3) Ca(3) Cl(1) 166.17(15) ? 7_665 . . .
Ca(1) O(3) Ca(3) P(3) 91.17(3) ? 7_665 . . .
Ca(1) O(3) Ca(3) F(1) -177.924(18) ? 7_665 . . .
Ca(1) O(3) Ca(3) Cl(1) -160.83(18) ? 7_665 . . 8_555
Ca(1) O(3) Ca(3) P(3) 5.22(2) ? 7_665 . . 3_655
Ca(1) O(3) Ca(3) P(3) -131.01(18) ? 7_665 . . 5_555
Ca(1) O(3) Ca(3) O(1) -88.5(4) ? 7_665 . . 5_555
Ca(1) O(3) Ca(3) O(2) 16.82(3) ? 7_665 . . 3_655
Ca(1) O(3) Ca(3) O(3) 94.8(2) ? 7_665 . . 6_555
Ca(1) O(3) Ca(3) O(3) -77.38(10) ? 7_665 . . 9_555
Ca(1) O(3) Ca(3) O(3) 99.39(6) ? 7_665 . . 10_555
Ca(1) O(3) Ca(3) Ca(2) 132.2(9) ? 7_665 . 2_554 2_554
Ca(1) O(3) Ca(3) Cl(1) 137.69(8) ? 7_665 . 2_554 2_554
Ca(1) O(3) Ca(3) P(3) -146.54(5) ? 7_665 . 2_554 2_554
Ca(1) O(3) Ca(3) F(1) 132.55(10) ? 7_665 . 2_554 2_554
Ca(1) O(3) Ca(3) O(3) -148.40(10) ? 7_665 . 2_554 2_554
Ca(2) O(3) Ca(3) Cl(1) -16.08(19) ? . . . .
Ca(2) O(3) Ca(3) P(3) -91.08(13) ? . . . .
Ca(2) O(3) Ca(3) F(1) -0.17(11) ? . . . .
Ca(2) O(3) Ca(3) Cl(1) 16.9(2) ? . . . 8_555
Ca(2) O(3) Ca(3) P(3) -177.03(14) ? . . . 3_655
Ca(2) O(3) Ca(3) P(3) 46.7(2) ? . . . 5_555
Ca(2) O(3) Ca(3) O(1) 89.2(4) ? . . . 5_555
Ca(2) O(3) Ca(3) O(2) -165.43(14) ? . . . 3_655
Ca(2) O(3) Ca(3) O(3) -87.4(3) ? . . . 6_555
Ca(2) O(3) Ca(3) O(3) 100.36(16) ? . . . 9_555
Ca(2) O(3) Ca(3) O(3) -82.86(14) ? . . . 10_555
Ca(2) O(3) Ca(3) Ca(2) 26.1(10) ? . . 2_554 2_554
Ca(2) O(3) Ca(3) Cl(1) 31.62(15) ? . . 2_554 2_554
Ca(2) O(3) Ca(3) P(3) 107.39(6) ? . . 2_554 2_554
Ca(2) O(3) Ca(3) F(1) 26.48(19) ? . . 2_554 2_554
Ca(2) O(3) Ca(3) O(3) 105.53(8) ? . . 2_554 2_554
Ca(2) O(3) Ca(3) Ca(2) -72.99(15) ? 2_554 . . .
Ca(2) O(3) Ca(3) Cl(1) -89.08(16) ? 2_554 . . .
Ca(2) O(3) Ca(3) P(3) -164.08(9) ? 2_554 . . .
Ca(2) O(3) Ca(3) F(1) -73.17(7) ? 2_554 . . .
Ca(2) O(3) Ca(3) Cl(1) -56.1(2) ? 2_554 . . 8_555
Ca(2) O(3) Ca(3) P(3) 109.98(7) ? 2_554 . . 3_655
Ca(2) O(3) Ca(3) P(3) -26.3(2) ? 2_554 . . 5_555
Ca(2) O(3) Ca(3) O(1) 16.2(4) ? 2_554 . . 5_555
Ca(2) O(3) Ca(3) O(2) 121.57(5) ? 2_554 . . 3_655
Ca(2) O(3) Ca(3) O(3) -160.4(2) ? 2_554 . . 6_555
Ca(2) O(3) Ca(3) O(3) 27.37(16) ? 2_554 . . 9_555
Ca(2) O(3) Ca(3) O(3) -155.85(5) ? 2_554 . . 10_555
Ca(2) O(3) Ca(3) Cl(1) 5.5(9) ? 2_554 . 2_554 2_554
Ca(2) O(3) Ca(3) P(3) 81.2(10) ? 2_554 . 2_554 2_554
Ca(2) O(3) Ca(3) F(1) 0.3(3) ? 2_554 . 2_554 2_554
Ca(2) O(3) Ca(3) O(3) 79.4(10) ? 2_554 . 2_554 2_554
P(3) O(3) Ca(3) Ca(2) 91.08(13) ? . . . .
P(3) O(3) Ca(3) Cl(1) 75.00(16) ? . . . .
P(3) O(3) Ca(3) F(1) 90.91(3) ? . . . .
P(3) O(3) Ca(3) Cl(1) 108.00(18) ? . . . 8_555
P(3) O(3) Ca(3) P(3) -85.94(3) ? . . . 3_655
P(3) O(3) Ca(3) P(3) 137.82(17) ? . . . 5_555
P(3) O(3) Ca(3) O(1) -179.7(2) ? . . . 5_555
P(3) O(3) Ca(3) O(2) -74.35(4) ? . . . 3_655
P(3) O(3) Ca(3) O(3) 3.6(3) ? . . . 6_555
P(3) O(3) Ca(3) O(3) -168.55(9) ? . . . 9_555
P(3) O(3) Ca(3) O(3) 8.22(7) ? . . . 10_555
P(3) O(3) Ca(3) Ca(2) -128.9(8) ? . . 2_554 2_554
P(3) O(3) Ca(3) Cl(1) -123.39(9) ? . . 2_554 2_554
P(3) O(3) Ca(3) P(3) -47.62(17) ? . . 2_554 2_554
P(3) O(3) Ca(3) F(1) -128.53(5) ? . . 2_554 2_554
P(3) O(3) Ca(3) O(3) -49.5(2) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) Ca(2) 32.9(10) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) Cl(1) 38.4(2) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) P(3) 114.12(13) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) F(1) 33.2(2) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) O(3) 112.26(14) ? . . 2_554 2_554
Ca(3) O(3) Ca(3) Ca(2) -76.9(2) ? 2_554 . . .
Ca(3) O(3) Ca(3) Cl(1) -93.0(2) ? 2_554 . . .
Ca(3) O(3) Ca(3) P(3) -167.97(17) ? 2_554 . . .
Ca(3) O(3) Ca(3) F(1) -77.06(16) ? 2_554 . . .
Ca(3) O(3) Ca(3) Cl(1) -60.0(2) ? 2_554 . . 8_555
Ca(3) O(3) Ca(3) P(3) 106.09(15) ? 2_554 . . 3_655
Ca(3) O(3) Ca(3) P(3) -30.1(2) ? 2_554 . . 5_555
Ca(3) O(3) Ca(3) O(1) 12.4(5) ? 2_554 . . 5_555
Ca(3) O(3) Ca(3) O(2) 117.68(15) ? 2_554 . . 3_655
Ca(3) O(3) Ca(3) O(3) -164.3(2) ? 2_554 . . 6_555
Ca(3) O(3) Ca(3) O(3) 23.5(2) ? 2_554 . . 9_555
Ca(3) O(3) Ca(3) O(3) -159.74(14) ? 2_554 . . 10_555

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Cl(1) Ca(2) 3.457(6) ? . 2_555
Cl(1) Ca(2) 3.457(6) ? . 4_555
Cl(1) Cl(1) 3.434(12) ? . 2_555
Cl(1) F(1) 2.584(9) ? . 2_555
Cl(1) O(3) 3.228(3) ? . 2_555
Cl(1) O(3) 3.228(3) ? . 4_555
Cl(1) O(3) 2.9572(13) ? . 12_555
F(1) F(1) 3.4340 ? . 2_555
F(1) O(3) 3.1811(6) ? . 12_555
O(1) O(2) 3.49939(16) ? . 4_665
O(1) O(3) 2.9807(6) ? . 2_555
O(1) O(3) 3.5631(6) ? . 4_665
O(2) O(1) 3.49939(16) ? . 4_665
O(2) O(3) 3.2176(7) ? . 4_665
O(2) O(3) 2.9533(7) ? . 8_665
O(3) O(1) 2.9807(8) ? . 6_554


#==============================================================================

# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================

#     End of CIF

#==============================================================================

