data_global 
_audit_creation_date        "11-06-17"
_audit_creation_method CRYSTALS_ver_14.11

_oxford_structure_analysis_title  'bu3_1 in C2/c'
_chemical_name_systematic         '2M1 phlogopites'
_chemical_melting_point           ?
 
data_1 
_publ_requested_journal          Am.Miner.
_publ_contact_author_name        'Professor Fernando Scordari '
_publ_contact_author_address     
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
_publ_contact_author_email       f.scordari@geomin.uniba.it
_publ_contact_author_phone       '+39 080 5442587'
_publ_contact_author_fax         '+39 080 5442597'

_publ_section_title 
; 
CRYSTAL CHEMISTRY OF TRIOCTAHEDRAL MICAS-2M1 FROM BUNYARUGURU 
(SW UGANDA) KAMAFUGITE 
; 

loop_
_publ_author_name
_publ_author_address
'Scordari, Fernando '
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Schingaro, Emanuela'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Lacalamita, Maria'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
'Mesto, Ernesto'
;Dipartimento Geomineralogico 
Universita' di Bari 
Via Orabona 4 
I-70125 Bari 
Italy
;
 
_cell_length_a                    5.3273(2)
_cell_length_b                    9.2231(3)
_cell_length_c                    20.1964(8)
_cell_angle_alpha                 90
_cell_angle_beta                  95.121(2)
_cell_angle_gamma                 90
_cell_volume                      988.37(6)
 
_symmetry_cell_setting            'monoclinic' 
_symmetry_space_group_name_H-M    'C 2/c ' 
_symmetry_space_group_name_Hall   ? 
loop_
 _symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 'x+1/2,y+1/2,z'
 '-x+1/2,-y+1/2,-z'
 'x,-y,z+1/2'
 '-x,y,-z+1/2'
 'x+1/2,-y+1/2,z+1/2'
 '-x+1/2,y+1/2,-z+1/2'

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source  
 H       0.0000   0.0000   0.4930  10.5109   0.3229  26.1257   0.1402   3.1424
   0.0408  57.7997   0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fep2    0.3010   0.8450  11.0424   4.6538   7.3740   0.3053   4.1346  12.0546
   0.4399  31.2809   1.0097 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Kp1     0.1790   0.2500   7.9578  12.6331   7.4917   0.7674   6.3590  -0.0020
   1.1915  31.9128  -4.9978 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Mgp2    0.0420   0.0360   3.4988   2.1676   3.8378   4.7542   1.3284   0.1850
   0.8497  10.1411   0.4853 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Si      0.0720   0.0710   6.2915   2.4386   3.0353  32.3337   1.9891   0.6785
   1.5410  81.6937   1.1407 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Sip4    0.0720   0.0710   4.4392   1.6417   3.2034   3.4376   1.1945   0.2149
   0.4165   6.6536   0.7463 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 O       0.0080   0.0060   3.0485  13.2771   2.2868   5.7011   1.5463   0.3239
   0.8670  32.9089   0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Om2     0.0080   0.0060   3.7504  16.5151   2.8429   6.5920   1.5430   0.3192
   1.6209  43.3486   0.2421 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 
 
_cell_formula_units_Z                    4

# Given Formula = H2 Fep21.50 Kp11 Mgp21.50 O6 Om26 Sip42 Si2 
# Dc =      3.13 Fooo =    811.54 Mu =     55.23 M =    232.84
# Found Formula = H0.91 Fep20.53 Kp10.50 Mgp21.99 O4.88 Om27.12 Si2.51 Sip41.49 
# Dc =      2.94 FOOO =    811.54 Mu =     48.84 M =    218.84

_chemical_formula_sum             'H0.91 Fep20.53 Kp10.50 Mgp21.99 O4.88 Om27.12 Si2.51 Sip41.49'
_chemical_formula_moiety          'H0.91 Fep20.53 Kp10.50 Mgp21.99 O4.88 Om27.12 Si2.51 Sip41.49'
_chemical_compound_source         'natural'
_chemical_formula_weight            437.68
 
 
_cell_measurement_reflns_used            0
_cell_measurement_theta_min              0
_cell_measurement_theta_max              0
_cell_measurement_temperature          293
 
_exptl_crystal_description        'platy' 
_exptl_crystal_colour             'brown' 
_exptl_crystal_size_min           0.050 
_exptl_crystal_size_mid           0.680 
_exptl_crystal_size_max           0.950 
 
_exptl_crystal_density_diffrn     2.941 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
# Non-dispersive F(000): 
_exptl_crystal_F_000              811.545 
_exptl_absorpt_coefficient_mu     4.884 
 
# Sheldrick geometric approximatio 0.04 0.78 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_process_details    'SADABS (Siemens, 1996)' 
_exptl_absorpt_correction_T_min   0.7016 
_exptl_absorpt_correction_T_max   1.0000
# For a Kappa CCD, set Tmin to 1.0 and 
# Tmax to the ratio of max:min frame scales in scale_all.log 
_diffrn_measurement_device_type   'Nonius KappaCCD' 
_diffrn_measurement_device        'Area' 
_diffrn_radiation_monochromator   'graphite' 
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength           0.71073
_diffrn_measurement_method        ω/2θ 
 
# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection        'COLLECT (Nonius, 2001).' 
_computing_cell_refinement        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' 
_computing_data_reduction         'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' 
_computing_structure_solution     'Superflip (Palatinus & Chapuis, 2007)' 
_computing_structure_refinement   'CRYSTALS (Betteridge et al., 2003)' 
_computing_publication_material   'CRYSTALS (Betteridge et al., 2003)' 
_computing_molecular_graphics     'CAMERON (Watkin et al., 1996)' 
 
_diffrn_standards_interval_time   . 
_diffrn_standards_interval_count  . 
_diffrn_standards_number          0 
_diffrn_standards_decay_%         ? 
 
_diffrn_ambient_temperature        293
_diffrn_reflns_number             29357 
_reflns_number_total              3266 
_diffrn_reflns_av_R_equivalents   0.043 
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 3266 
# Theoretical number of reflections is about 6769 
 
 
_diffrn_reflns_theta_min          2.025 
_diffrn_reflns_theta_max          41.650 
_diffrn_measured_fraction_theta_max 0.968 
 
_diffrn_reflns_theta_full         39.567 
_diffrn_measured_fraction_theta_full 0.995 
 
 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -37 
_diffrn_reflns_limit_l_max        36 
_reflns_limit_h_min               -9 
_reflns_limit_h_max               9 
_reflns_limit_k_min               0 
_reflns_limit_k_max               16 
_reflns_limit_l_min               0 
_reflns_limit_l_max               37 
 
_oxford_diffrn_Wilson_B_factor    1.05 
_oxford_diffrn_Wilson_scale       106.86 
 
_atom_sites_solution_primary      direct #heavy,direct,difmap,geom
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens    geom
 
_refine_diff_density_min          -0.85 
_refine_diff_density_max          0.74 
 
 
# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 
 
 
# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref     I>3.0\s(I)
_refine_ls_number_reflns          2168 
_refine_ls_number_restraints      3 
_refine_ls_number_parameters      110 
_oxford_refine_ls_R_factor_ref    0.0352 
_refine_ls_wR_factor_ref          0.0389 
_refine_ls_goodness_of_fit_ref    1.0783 
_refine_ls_shift/su_max           0.0002586 
_refine_ls_shift/su_mean          0.0000218 
 
 
# The values computed from all data 
_oxford_reflns_number_all         2790 
_refine_ls_R_factor_all           0.0492 
_refine_ls_wR_factor_all          0.0687 
 
# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression      I>2.0σ(I)
_reflns_number_gt                 2399 
_refine_ls_R_factor_gt            0.0398 
_refine_ls_wR_factor_gt           0.0419 
 
# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration  '.' 
 
 
_refine_ls_structure_factor_coef  F 
_refine_ls_matrix_type            full
_refine_ls_hydrogen_treatment     none           # none, undef, noref, refall,
                                                 # refxyz, refU, constr or mixed
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 0.164 0.125 0.441E-01 0.856E-02 0.400E-02 
;
# Insert your own references if required - in alphabetical order 
_publ_section_references 
; 
Betteridge, P.W., Carruthers, J.R., Cooper, R.I., 
Prout, K. & Watkin, D.J. (2003). J. Appl. Cryst. 36, 1487. 
 
Nonius (2001). COLLECT. Nonius BV, Delft, The Netherlands. 
 
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, 
edited by C. W. Carter Jr & R. M. Sweet, pp. 307--326. 
New York: Academic Press. 
 
Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786-790. 
 
Prince, E. 
Mathematical Techniques in Crystallography 
and Materials Science 
Springer-Verlag, New York, 1982. 
 
Siemens Industrial Automation, Inc (1996). 
SADABS: Area-Detector Absorption Correction;: Madison, WI. 
 
Watkin D.J. (1994). 
Acta Cryst, A50, 411-437. 
 
Watkin, D.J., Prout, C.K. & Pearce, L.J. (1996). CAMERON, Chemical 
Crystallography Laboratory, Oxford, UK. 
; 

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atomsattached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Kp11 Kp1 0.0000 0.08384(8) 0.2500 0.0354 1.005(2) Uani . . P . . . 
Mgp22 Mgp2 0.7500 0.2500 0.0000 0.0116 0.813(3) Uani . . P . . . 
Fep22 Fep2 0.7500 0.2500 0.0000 0.0116 0.187(2) Uani . . P . . . 
Mgp23 Mgp2 0.24271(7) 0.08080(4) 0.000015(17) 0.0140 0.791(18) Uani . . P . . . 
Fep23 Fep2 0.24271(7) 0.08080(4) 0.000015(17) 0.0140 0.219(9) Uani . . P . . . 
Sip44 Sip4 0.46198(7) 0.24996(4) 0.136928(18) 0.0105 0.39(5) Uani . . P . . . 
Si4 Si 0.46198(7) 0.24996(4) 0.136928(18) 0.0105 0.61(5) Uani . . P . . . 
Sip45 Sip4 0.96296(7) 0.41697(4) 0.136867(18) 0.0113 0.35(6) Uani . . P . . . 
Si5 Si 0.96296(7) 0.41697(4) 0.136867(18) 0.0113 0.65(6) Uani . . P . . . 
Om26 Om2 0.7414(2) 0.31416(14) 0.16543(6) 0.0199 0.68(6) Uani . . P . . . 
O6 O 0.7414(2) 0.31416(14) 0.16543(6) 0.0199 0.32(6) Uani . . P . . . 
Om27 Om2 0.2412(2) 0.35262(14) 0.16592(6) 0.0196 0.69(6) Uani . . P . . . 
O7 O 0.2412(2) 0.35262(14) 0.16592(6) 0.0196 0.31(6) Uani . . P . . . 
Om28 Om2 0.4340(2) 0.08358(12) 0.16589(6) 0.0192 0.67(7) Uani . . P . . . 
O8 O 0.4340(2) 0.08358(12) 0.16589(6) 0.0192 0.33(7) Uani . . P . . . 
Om29 Om2 0.43276(18) 0.24937(11) 0.05446(5) 0.0119 0.51(6) Uani . . P . . . 
O9 O 0.43276(18) 0.24937(11) 0.05446(5) 0.0119 0.49(6) Uani . . P . . . 
Om210 Om2 0.93659(18) 0.41744(12) 0.05442(5) 0.0118 0.50(6) Uani . . P . . . 
O10 O 0.93659(18) 0.41744(12) 0.05442(5) 0.0118 0.50(6) Uani . . P . . . 
Om211 Om2 0.93451(19) 0.08212(12) 0.05074(5) 0.0133 0.51(7) Uani . . P . . . 
O11 O 0.93451(19) 0.08212(12) 0.05074(5) 0.0133 0.49(7) Uani . . P . . . 
H111 H 0.9449 0.0846 0.0882 0.0132 0.46(6) Uani R . P . . . 

_refine_ls_extinction_method 
    'None'
_oxford_refine_ls_scale 0.09367(18) 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_site_symmetry_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
Mgp22 . Om211 4_655 2.0577(10)    yes
Mgp22 . O11 4_655 2.0577(10)    yes
Mgp22 . O10 4_655 2.0943(10)    yes
Mgp22 . Om210 4_655 2.0943(10)    yes
Mgp22 . Om29 4_655 2.0972(10)    yes
Mgp22 . O9 4_655 2.0972(10)    yes
Mgp22 . Om29 . 2.0972(10)    yes
Mgp22 . O9 . 2.0972(10)    yes
Mgp22 . Om210 . 2.0943(10)    yes
Mgp22 . O10 . 2.0943(10)    yes
Mgp22 . Om211 . 2.0577(10)    yes
Mgp22 . O11 . 2.0577(10)    yes
Fep22 . Om29 4_655 2.0972(10)    yes
Fep22 . O9 4_655 2.0972(10)    yes
Fep22 . Om210 4_655 2.0943(10)    yes
Fep22 . O10 4_655 2.0943(10)    yes
Fep22 . O11 4_655 2.0577(10)    yes
Fep22 . Om211 4_655 2.0577(10)    yes
Fep22 . Om29 . 2.0972(10)    yes
Fep22 . O9 . 2.0972(10)    yes
Fep22 . Om210 . 2.0943(10)    yes
Fep22 . O10 . 2.0943(10)    yes
Fep22 . Om211 . 2.0577(10)    yes
Fep22 . O11 . 2.0577(10)    yes
Mgp23 . Om211 2_655 2.0068(12)    yes
Mgp23 . O11 2_655 2.0068(12)    yes
Mgp23 . O11 1_455 2.0114(11)    yes
Mgp23 . Om211 1_455 2.0114(11)    yes
Mgp23 . O10 3_445 2.0836(10)    yes
Mgp23 . Om210 3_445 2.0836(10)    yes
Mgp23 . O9 4_555 2.0867(10)    yes
Mgp23 . Om29 4_555 2.0867(10)    yes
Mgp23 . O10 4_655 2.1126(10)    yes
Mgp23 . Om210 4_655 2.1126(10)    yes
Mgp23 . Om29 . 2.1102(11)    yes
Mgp23 . O9 . 2.1102(11)    yes
Fep23 . O10 4_655 2.1126(10)    yes
Fep23 . Om210 4_655 2.1126(10)    yes
Fep23 . O9 4_555 2.0867(10)    yes
Fep23 . Om29 4_555 2.0867(10)    yes
Fep23 . O10 3_445 2.0836(10)    yes
Fep23 . Om210 3_445 2.0836(10)    yes
Fep23 . O11 1_455 2.0114(11)    yes
Fep23 . Om211 1_455 2.0114(11)    yes
Fep23 . Om211 2_655 2.0068(12)    yes
Fep23 . O11 2_655 2.0068(12)    yes
Fep23 . Om29 . 2.1102(11)    yes
Fep23 . O9 . 2.1102(11)    yes
Sip44 . Om26 . 1.6569(12)    yes
Sip44 . O6 . 1.6569(12)    yes
Sip44 . Om27 . 1.6569(12)    yes
Sip44 . O7 . 1.6569(12)    yes
Sip44 . Om28 . 1.6537(12)    yes
Sip44 . O8 . 1.6537(12)    yes
Sip44 . Om29 . 1.6588(10)    yes
Sip44 . O9 . 1.6588(10)    yes
Si4 . Om26 . 1.6569(12)    yes
Si4 . O6 . 1.6569(12)    yes
Si4 . Om27 . 1.6569(12)    yes
Si4 . O7 . 1.6569(12)    yes
Si4 . Om28 . 1.6537(12)    yes
Si4 . O8 . 1.6537(12)    yes
Si4 . Om29 . 1.6588(10)    yes
Si4 . O9 . 1.6588(10)    yes
Sip45 . O8 3_555 1.6568(12)    yes
Sip45 . Om28 3_555 1.6568(12)    yes
Sip45 . O7 1_655 1.6549(12)    yes
Sip45 . Om27 1_655 1.6549(12)    yes
Sip45 . Om26 . 1.6571(12)    yes
Sip45 . O6 . 1.6571(12)    yes
Sip45 . Om210 . 1.6585(10)    yes
Sip45 . O10 . 1.6585(10)    yes
Si5 . O8 3_555 1.6568(12)    yes
Si5 . Om28 3_555 1.6568(12)    yes
Si5 . O7 1_655 1.6549(12)    yes
Si5 . Om27 1_655 1.6549(12)    yes
Si5 . Om26 . 1.6571(12)    yes
Si5 . O6 . 1.6571(12)    yes
Si5 . Om210 . 1.6585(10)    yes
Si5 . O10 . 1.6585(10)    yes
Om211 . H111 . 0.755    no
O11 . H111 . 0.755    no
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_site_symmetry_1
 _geom_angle_atom_site_label_2
 _geom_angle_site_symmetry_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
Om211 4_655 Mgp22 . O10 4_655 96.33(4)    yes
O11 4_655 Mgp22 . O10 4_655 96.33(4)    yes
Om211 4_655 Mgp22 . Om210 4_655 96.33(4)    yes
O11 4_655 Mgp22 . Om210 4_655 96.33(4)    yes
Om211 4_655 Mgp22 . Om29 4_655 96.21(4)    yes
O11 4_655 Mgp22 . Om29 4_655 96.21(4)    yes
O10 4_655 Mgp22 . Om29 4_655 95.38(4)    yes
Om210 4_655 Mgp22 . Om29 4_655 95.38(4)    yes
Om211 4_655 Mgp22 . O9 4_655 96.21(4)    yes
O11 4_655 Mgp22 . O9 4_655 96.21(4)    yes
O10 4_655 Mgp22 . O9 4_655 95.38(4)    yes
Om210 4_655 Mgp22 . O9 4_655 95.38(4)    yes
Om211 4_655 Mgp22 . Om29 . 83.79(4)    yes
O11 4_655 Mgp22 . Om29 . 83.79(4)    yes
O10 4_655 Mgp22 . Om29 . 84.62(4)    yes
Om210 4_655 Mgp22 . Om29 . 84.62(4)    yes
Om29 4_655 Mgp22 . Om29 . 179.995    yes
Om211 4_655 Mgp22 . O9 . 83.79(4)    yes
O11 4_655 Mgp22 . O9 . 83.79(4)    yes
O10 4_655 Mgp22 . O9 . 84.62(4)    yes
Om210 4_655 Mgp22 . O9 . 84.62(4)    yes
Om29 4_655 Mgp22 . O9 . 179.995    yes
Om211 4_655 Mgp22 . Om210 . 83.67(4)    yes
O11 4_655 Mgp22 . Om210 . 83.67(4)    yes
O10 4_655 Mgp22 . Om210 . 179.995    yes
Om210 4_655 Mgp22 . Om210 . 179.995    yes
Om29 4_655 Mgp22 . Om210 . 84.62(4)    yes
Om211 4_655 Mgp22 . O10 . 83.67(4)    yes
O11 4_655 Mgp22 . O10 . 83.67(4)    yes
O10 4_655 Mgp22 . O10 . 179.995    yes
Om210 4_655 Mgp22 . O10 . 179.995    yes
Om29 4_655 Mgp22 . O10 . 84.62(4)    yes
Om211 4_655 Mgp22 . Om211 . 179.994    yes
O11 4_655 Mgp22 . Om211 . 179.994    yes
O10 4_655 Mgp22 . Om211 . 83.67(4)    yes
Om210 4_655 Mgp22 . Om211 . 83.67(4)    yes
Om29 4_655 Mgp22 . Om211 . 83.79(4)    yes
Om211 4_655 Mgp22 . O11 . 179.994    yes
O11 4_655 Mgp22 . O11 . 179.994    yes
O10 4_655 Mgp22 . O11 . 83.67(4)    yes
Om210 4_655 Mgp22 . O11 . 83.67(4)    yes
Om29 4_655 Mgp22 . O11 . 83.79(4)    yes
O9 4_655 Mgp22 . Om29 . 179.995    yes
O9 4_655 Mgp22 . O9 . 179.995    yes
O9 4_655 Mgp22 . Om210 . 84.62(4)    yes
Om29 . Mgp22 . Om210 . 95.38(4)    yes
O9 . Mgp22 . Om210 . 95.38(4)    yes
O9 4_655 Mgp22 . O10 . 84.62(4)    yes
Om29 . Mgp22 . O10 . 95.38(4)    yes
O9 . Mgp22 . O10 . 95.38(4)    yes
O9 4_655 Mgp22 . Om211 . 83.79(4)    yes
Om29 . Mgp22 . Om211 . 96.21(4)    yes
O9 . Mgp22 . Om211 . 96.21(4)    yes
Om210 . Mgp22 . Om211 . 96.33(4)    yes
O10 . Mgp22 . Om211 . 96.33(4)    yes
O9 4_655 Mgp22 . O11 . 83.79(4)    yes
Om29 . Mgp22 . O11 . 96.21(4)    yes
O9 . Mgp22 . O11 . 96.21(4)    yes
Om210 . Mgp22 . O11 . 96.33(4)    yes
O10 . Mgp22 . O11 . 96.33(4)    yes
Om29 4_655 Fep22 . Om210 4_655 95.38(4)    yes
O9 4_655 Fep22 . Om210 4_655 95.38(4)    yes
Om29 4_655 Fep22 . O10 4_655 95.38(4)    yes
O9 4_655 Fep22 . O10 4_655 95.38(4)    yes
Om29 4_655 Fep22 . O11 4_655 96.21(4)    yes
O9 4_655 Fep22 . O11 4_655 96.21(4)    yes
Om210 4_655 Fep22 . O11 4_655 96.33(4)    yes
O10 4_655 Fep22 . O11 4_655 96.33(4)    yes
Om29 4_655 Fep22 . Om211 4_655 96.21(4)    yes
O9 4_655 Fep22 . Om211 4_655 96.21(4)    yes
Om210 4_655 Fep22 . Om211 4_655 96.33(4)    yes
O10 4_655 Fep22 . Om211 4_655 96.33(4)    yes
Om29 4_655 Fep22 . Om29 . 179.995    yes
O9 4_655 Fep22 . Om29 . 179.995    yes
Om210 4_655 Fep22 . Om29 . 84.62(4)    yes
O10 4_655 Fep22 . Om29 . 84.62(4)    yes
O11 4_655 Fep22 . Om29 . 83.79(4)    yes
Om29 4_655 Fep22 . O9 . 179.995    yes
O9 4_655 Fep22 . O9 . 179.995    yes
Om210 4_655 Fep22 . O9 . 84.62(4)    yes
O10 4_655 Fep22 . O9 . 84.62(4)    yes
O11 4_655 Fep22 . O9 . 83.79(4)    yes
Om29 4_655 Fep22 . Om210 . 84.62(4)    yes
O9 4_655 Fep22 . Om210 . 84.62(4)    yes
Om210 4_655 Fep22 . Om210 . 179.995    yes
O10 4_655 Fep22 . Om210 . 179.995    yes
O11 4_655 Fep22 . Om210 . 83.67(4)    yes
Om29 4_655 Fep22 . O10 . 84.62(4)    yes
O9 4_655 Fep22 . O10 . 84.62(4)    yes
Om210 4_655 Fep22 . O10 . 179.995    yes
O10 4_655 Fep22 . O10 . 179.995    yes
O11 4_655 Fep22 . O10 . 83.67(4)    yes
Om29 4_655 Fep22 . Om211 . 83.79(4)    yes
O9 4_655 Fep22 . Om211 . 83.79(4)    yes
Om210 4_655 Fep22 . Om211 . 83.67(4)    yes
O10 4_655 Fep22 . Om211 . 83.67(4)    yes
O11 4_655 Fep22 . Om211 . 179.994    yes
Om29 4_655 Fep22 . O11 . 83.79(4)    yes
O9 4_655 Fep22 . O11 . 83.79(4)    yes
Om210 4_655 Fep22 . O11 . 83.67(4)    yes
O10 4_655 Fep22 . O11 . 83.67(4)    yes
O11 4_655 Fep22 . O11 . 179.994    yes
Om211 4_655 Fep22 . Om29 . 83.79(4)    yes
Om211 4_655 Fep22 . O9 . 83.79(4)    yes
Om211 4_655 Fep22 . Om210 . 83.67(4)    yes
Om29 . Fep22 . Om210 . 95.38(4)    yes
O9 . Fep22 . Om210 . 95.38(4)    yes
Om211 4_655 Fep22 . O10 . 83.67(4)    yes
Om29 . Fep22 . O10 . 95.38(4)    yes
O9 . Fep22 . O10 . 95.38(4)    yes
Om211 4_655 Fep22 . Om211 . 179.994    yes
Om29 . Fep22 . Om211 . 96.21(4)    yes
O9 . Fep22 . Om211 . 96.21(4)    yes
Om210 . Fep22 . Om211 . 96.33(4)    yes
O10 . Fep22 . Om211 . 96.33(4)    yes
Om211 4_655 Fep22 . O11 . 179.994    yes
Om29 . Fep22 . O11 . 96.21(4)    yes
O9 . Fep22 . O11 . 96.21(4)    yes
Om210 . Fep22 . O11 . 96.33(4)    yes
O10 . Fep22 . O11 . 96.33(4)    yes
Om211 2_655 Mgp23 . O11 1_455 84.06(4)    yes
O11 2_655 Mgp23 . O11 1_455 84.06(4)    yes
Om211 2_655 Mgp23 . Om211 1_455 84.06(4)    yes
O11 2_655 Mgp23 . Om211 1_455 84.06(4)    yes
Om211 2_655 Mgp23 . O10 3_445 85.21(4)    yes
O11 2_655 Mgp23 . O10 3_445 85.21(4)    yes
O11 1_455 Mgp23 . O10 3_445 97.15(4)    yes
Om211 1_455 Mgp23 . O10 3_445 97.15(4)    yes
Om211 2_655 Mgp23 . Om210 3_445 85.21(4)    yes
O11 2_655 Mgp23 . Om210 3_445 85.21(4)    yes
O11 1_455 Mgp23 . Om210 3_445 97.15(4)    yes
Om211 1_455 Mgp23 . Om210 3_445 97.15(4)    yes
Om211 2_655 Mgp23 . O9 4_555 97.15(4)    yes
O11 2_655 Mgp23 . O9 4_555 97.15(4)    yes
O11 1_455 Mgp23 . O9 4_555 85.21(4)    yes
Om211 1_455 Mgp23 . O9 4_555 85.21(4)    yes
O10 3_445 Mgp23 . O9 4_555 176.84(4)    yes
Om211 2_655 Mgp23 . Om29 4_555 97.15(4)    yes
O11 2_655 Mgp23 . Om29 4_555 97.15(4)    yes
O11 1_455 Mgp23 . Om29 4_555 85.21(4)    yes
Om211 1_455 Mgp23 . Om29 4_555 85.21(4)    yes
O10 3_445 Mgp23 . Om29 4_555 176.84(4)    yes
Om211 2_655 Mgp23 . O10 4_655 96.05(4)    yes
O11 2_655 Mgp23 . O10 4_655 96.05(4)    yes
O11 1_455 Mgp23 . O10 4_655 178.92(4)    yes
Om211 1_455 Mgp23 . O10 4_655 178.92(4)    yes
O10 3_445 Mgp23 . O10 4_655 83.92(4)    yes
Om211 2_655 Mgp23 . Om210 4_655 96.05(4)    yes
O11 2_655 Mgp23 . Om210 4_655 96.05(4)    yes
O11 1_455 Mgp23 . Om210 4_655 178.92(4)    yes
Om211 1_455 Mgp23 . Om210 4_655 178.92(4)    yes
O10 3_445 Mgp23 . Om210 4_655 83.92(4)    yes
Om211 2_655 Mgp23 . Om29 . 178.97(4)    yes
O11 2_655 Mgp23 . Om29 . 178.97(4)    yes
O11 1_455 Mgp23 . Om29 . 96.06(4)    yes
Om211 1_455 Mgp23 . Om29 . 96.06(4)    yes
O10 3_445 Mgp23 . Om29 . 93.77(4)    yes
Om211 2_655 Mgp23 . O9 . 178.97(4)    yes
O11 2_655 Mgp23 . O9 . 178.97(4)    yes
O11 1_455 Mgp23 . O9 . 96.06(4)    yes
Om211 1_455 Mgp23 . O9 . 96.06(4)    yes
O10 3_445 Mgp23 . O9 . 93.77(4)    yes
Om210 3_445 Mgp23 . O9 4_555 176.84(4)    yes
Om210 3_445 Mgp23 . Om29 4_555 176.84(4)    yes
Om210 3_445 Mgp23 . O10 4_655 83.92(4)    yes
O9 4_555 Mgp23 . O10 4_655 93.72(4)    yes
Om29 4_555 Mgp23 . O10 4_655 93.72(4)    yes
Om210 3_445 Mgp23 . Om210 4_655 83.92(4)    yes
O9 4_555 Mgp23 . Om210 4_655 93.72(4)    yes
Om29 4_555 Mgp23 . Om210 4_655 93.72(4)    yes
Om210 3_445 Mgp23 . Om29 . 93.77(4)    yes
O9 4_555 Mgp23 . Om29 . 83.87(4)    yes
Om29 4_555 Mgp23 . Om29 . 83.87(4)    yes
O10 4_655 Mgp23 . Om29 . 83.85(4)    yes
Om210 4_655 Mgp23 . Om29 . 83.85(4)    yes
Om210 3_445 Mgp23 . O9 . 93.77(4)    yes
O9 4_555 Mgp23 . O9 . 83.87(4)    yes
Om29 4_555 Mgp23 . O9 . 83.87(4)    yes
O10 4_655 Mgp23 . O9 . 83.85(4)    yes
Om210 4_655 Mgp23 . O9 . 83.85(4)    yes
O10 4_655 Fep23 . O9 4_555 93.72(4)    yes
Om210 4_655 Fep23 . O9 4_555 93.72(4)    yes
O10 4_655 Fep23 . Om29 4_555 93.72(4)    yes
Om210 4_655 Fep23 . Om29 4_555 93.72(4)    yes
O10 4_655 Fep23 . O10 3_445 83.92(4)    yes
Om210 4_655 Fep23 . O10 3_445 83.92(4)    yes
O9 4_555 Fep23 . O10 3_445 176.84(4)    yes
Om29 4_555 Fep23 . O10 3_445 176.84(4)    yes
O10 4_655 Fep23 . Om210 3_445 83.92(4)    yes
Om210 4_655 Fep23 . Om210 3_445 83.92(4)    yes
O9 4_555 Fep23 . Om210 3_445 176.84(4)    yes
Om29 4_555 Fep23 . Om210 3_445 176.84(4)    yes
O10 4_655 Fep23 . O11 1_455 178.92(4)    yes
Om210 4_655 Fep23 . O11 1_455 178.92(4)    yes
O9 4_555 Fep23 . O11 1_455 85.21(4)    yes
Om29 4_555 Fep23 . O11 1_455 85.21(4)    yes
O10 3_445 Fep23 . O11 1_455 97.15(4)    yes
O10 4_655 Fep23 . Om211 1_455 178.92(4)    yes
Om210 4_655 Fep23 . Om211 1_455 178.92(4)    yes
O9 4_555 Fep23 . Om211 1_455 85.21(4)    yes
Om29 4_555 Fep23 . Om211 1_455 85.21(4)    yes
O10 3_445 Fep23 . Om211 1_455 97.15(4)    yes
O10 4_655 Fep23 . Om211 2_655 96.05(4)    yes
Om210 4_655 Fep23 . Om211 2_655 96.05(4)    yes
O9 4_555 Fep23 . Om211 2_655 97.15(4)    yes
Om29 4_555 Fep23 . Om211 2_655 97.15(4)    yes
O10 3_445 Fep23 . Om211 2_655 85.21(4)    yes
O10 4_655 Fep23 . O11 2_655 96.05(4)    yes
Om210 4_655 Fep23 . O11 2_655 96.05(4)    yes
O9 4_555 Fep23 . O11 2_655 97.15(4)    yes
Om29 4_555 Fep23 . O11 2_655 97.15(4)    yes
O10 3_445 Fep23 . O11 2_655 85.21(4)    yes
O10 4_655 Fep23 . Om29 . 83.85(4)    yes
Om210 4_655 Fep23 . Om29 . 83.85(4)    yes
O9 4_555 Fep23 . Om29 . 83.87(4)    yes
Om29 4_555 Fep23 . Om29 . 83.87(4)    yes
O10 3_445 Fep23 . Om29 . 93.77(4)    yes
O10 4_655 Fep23 . O9 . 83.85(4)    yes
Om210 4_655 Fep23 . O9 . 83.85(4)    yes
O9 4_555 Fep23 . O9 . 83.87(4)    yes
Om29 4_555 Fep23 . O9 . 83.87(4)    yes
O10 3_445 Fep23 . O9 . 93.77(4)    yes
Om210 3_445 Fep23 . O11 1_455 97.15(4)    yes
Om210 3_445 Fep23 . Om211 1_455 97.15(4)    yes
Om210 3_445 Fep23 . Om211 2_655 85.21(4)    yes
O11 1_455 Fep23 . Om211 2_655 84.06(4)    yes
Om211 1_455 Fep23 . Om211 2_655 84.06(4)    yes
Om210 3_445 Fep23 . O11 2_655 85.21(4)    yes
O11 1_455 Fep23 . O11 2_655 84.06(4)    yes
Om211 1_455 Fep23 . O11 2_655 84.06(4)    yes
Om210 3_445 Fep23 . Om29 . 93.77(4)    yes
O11 1_455 Fep23 . Om29 . 96.06(4)    yes
Om211 1_455 Fep23 . Om29 . 96.06(4)    yes
Om211 2_655 Fep23 . Om29 . 178.97(4)    yes
O11 2_655 Fep23 . Om29 . 178.97(4)    yes
Om210 3_445 Fep23 . O9 . 93.77(4)    yes
O11 1_455 Fep23 . O9 . 96.06(4)    yes
Om211 1_455 Fep23 . O9 . 96.06(4)    yes
Om211 2_655 Fep23 . O9 . 178.97(4)    yes
O11 2_655 Fep23 . O9 . 178.97(4)    yes
Om26 . Sip44 . Om27 . 108.49(7)    yes
O6 . Sip44 . Om27 . 108.49(7)    yes
Om26 . Sip44 . O7 . 108.49(7)    yes
O6 . Sip44 . O7 . 108.49(7)    yes
Om26 . Sip44 . Om28 . 108.38(6)    yes
O6 . Sip44 . Om28 . 108.38(6)    yes
Om27 . Sip44 . Om28 . 108.42(6)    yes
O7 . Sip44 . Om28 . 108.42(6)    yes
Om26 . Sip44 . O8 . 108.38(6)    yes
O6 . Sip44 . O8 . 108.38(6)    yes
Om27 . Sip44 . O8 . 108.42(6)    yes
O7 . Sip44 . O8 . 108.42(6)    yes
Om26 . Sip44 . Om29 . 110.54(6)    yes
O6 . Sip44 . Om29 . 110.54(6)    yes
Om27 . Sip44 . Om29 . 110.53(5)    yes
O7 . Sip44 . Om29 . 110.53(5)    yes
Om28 . Sip44 . Om29 . 110.41(6)    yes
Om26 . Sip44 . O9 . 110.54(6)    yes
O6 . Sip44 . O9 . 110.54(6)    yes
Om27 . Sip44 . O9 . 110.53(5)    yes
O7 . Sip44 . O9 . 110.53(5)    yes
Om28 . Sip44 . O9 . 110.41(6)    yes
O8 . Sip44 . Om29 . 110.41(6)    yes
O8 . Sip44 . O9 . 110.41(6)    yes
Om26 . Si4 . Om27 . 108.49(7)    yes
O6 . Si4 . Om27 . 108.49(7)    yes
Om26 . Si4 . O7 . 108.49(7)    yes
O6 . Si4 . O7 . 108.49(7)    yes
Om26 . Si4 . Om28 . 108.38(6)    yes
O6 . Si4 . Om28 . 108.38(6)    yes
Om27 . Si4 . Om28 . 108.42(6)    yes
O7 . Si4 . Om28 . 108.42(6)    yes
Om26 . Si4 . O8 . 108.38(6)    yes
O6 . Si4 . O8 . 108.38(6)    yes
Om27 . Si4 . O8 . 108.42(6)    yes
O7 . Si4 . O8 . 108.42(6)    yes
Om26 . Si4 . Om29 . 110.54(6)    yes
O6 . Si4 . Om29 . 110.54(6)    yes
Om27 . Si4 . Om29 . 110.53(5)    yes
O7 . Si4 . Om29 . 110.53(5)    yes
Om28 . Si4 . Om29 . 110.41(6)    yes
Om26 . Si4 . O9 . 110.54(6)    yes
O6 . Si4 . O9 . 110.54(6)    yes
Om27 . Si4 . O9 . 110.53(5)    yes
O7 . Si4 . O9 . 110.53(5)    yes
Om28 . Si4 . O9 . 110.41(6)    yes
O8 . Si4 . Om29 . 110.41(6)    yes
O8 . Si4 . O9 . 110.41(6)    yes
O8 3_555 Sip45 . O7 1_655 108.42(6)    yes
Om28 3_555 Sip45 . O7 1_655 108.42(6)    yes
O8 3_555 Sip45 . Om27 1_655 108.42(6)    yes
Om28 3_555 Sip45 . Om27 1_655 108.42(6)    yes
O8 3_555 Sip45 . Om26 . 108.41(6)    yes
Om28 3_555 Sip45 . Om26 . 108.41(6)    yes
O7 1_655 Sip45 . Om26 . 108.33(7)    yes
Om27 1_655 Sip45 . Om26 . 108.33(7)    yes
O8 3_555 Sip45 . O6 . 108.41(6)    yes
Om28 3_555 Sip45 . O6 . 108.41(6)    yes
O7 1_655 Sip45 . O6 . 108.33(7)    yes
Om27 1_655 Sip45 . O6 . 108.33(7)    yes
O8 3_555 Sip45 . Om210 . 110.52(6)    yes
Om28 3_555 Sip45 . Om210 . 110.52(6)    yes
O7 1_655 Sip45 . Om210 . 110.48(5)    yes
Om27 1_655 Sip45 . Om210 . 110.48(5)    yes
Om26 . Sip45 . Om210 . 110.60(6)    yes
O8 3_555 Sip45 . O10 . 110.52(6)    yes
Om28 3_555 Sip45 . O10 . 110.52(6)    yes
O7 1_655 Sip45 . O10 . 110.48(5)    yes
Om27 1_655 Sip45 . O10 . 110.48(5)    yes
Om26 . Sip45 . O10 . 110.60(6)    yes
O6 . Sip45 . Om210 . 110.60(6)    yes
O6 . Sip45 . O10 . 110.60(6)    yes
O8 3_555 Si5 . O7 1_655 108.42(6)    yes
Om28 3_555 Si5 . O7 1_655 108.42(6)    yes
O8 3_555 Si5 . Om27 1_655 108.42(6)    yes
Om28 3_555 Si5 . Om27 1_655 108.42(6)    yes
O8 3_555 Si5 . Om26 . 108.41(6)    yes
Om28 3_555 Si5 . Om26 . 108.41(6)    yes
O7 1_655 Si5 . Om26 . 108.33(7)    yes
Om27 1_655 Si5 . Om26 . 108.33(7)    yes
O8 3_555 Si5 . O6 . 108.41(6)    yes
Om28 3_555 Si5 . O6 . 108.41(6)    yes
O7 1_655 Si5 . O6 . 108.33(7)    yes
Om27 1_655 Si5 . O6 . 108.33(7)    yes
O8 3_555 Si5 . Om210 . 110.52(6)    yes
Om28 3_555 Si5 . Om210 . 110.52(6)    yes
O7 1_655 Si5 . Om210 . 110.48(5)    yes
Om27 1_655 Si5 . Om210 . 110.48(5)    yes
Om26 . Si5 . Om210 . 110.60(6)    yes
O8 3_555 Si5 . O10 . 110.52(6)    yes
Om28 3_555 Si5 . O10 . 110.52(6)    yes
O7 1_655 Si5 . O10 . 110.48(5)    yes
Om27 1_655 Si5 . O10 . 110.48(5)    yes
Om26 . Si5 . O10 . 110.60(6)    yes
O6 . Si5 . Om210 . 110.60(6)    yes
O6 . Si5 . O10 . 110.60(6)    yes
Si5 . Om26 . Si4 . 136.83(8)    yes
Sip45 . Om26 . Si4 . 136.83(8)    yes
Si5 . Om26 . Sip44 . 136.83(8)    yes
Sip45 . Om26 . Sip44 . 136.83(8)    yes
Si5 . O6 . Si4 . 136.83(8)    yes
Sip45 . O6 . Si4 . 136.83(8)    yes
Si5 . O6 . Sip44 . 136.83(8)    yes
Sip45 . O6 . Sip44 . 136.83(8)    yes
Sip44 . Om27 . Sip45 1_455 136.16(8)    yes
Si4 . Om27 . Sip45 1_455 136.16(8)    yes
Sip44 . Om27 . Si5 1_455 136.16(8)    yes
Si4 . Om27 . Si5 1_455 136.16(8)    yes
Sip44 . O7 . Sip45 1_455 136.16(8)    yes
Si4 . O7 . Sip45 1_455 136.16(8)    yes
Sip44 . O7 . Si5 1_455 136.16(8)    yes
Si4 . O7 . Si5 1_455 136.16(8)    yes
Si5 3_445 Om28 . Si4 . 136.16(7)    yes
Sip45 3_445 Om28 . Si4 . 136.16(7)    yes
Si5 3_445 Om28 . Sip44 . 136.16(7)    yes
Sip45 3_445 Om28 . Sip44 . 136.16(7)    yes
Si5 3_445 O8 . Si4 . 136.16(7)    yes
Sip45 3_445 O8 . Si4 . 136.16(7)    yes
Si5 3_445 O8 . Sip44 . 136.16(7)    yes
Sip45 3_445 O8 . Sip44 . 136.16(7)    yes
Fep23 . Om29 . Fep22 . 95.76(4)    yes
Fep23 . Om29 . Fep23 4_555 96.13(4)    yes
Fep22 . Om29 . Fep23 4_555 93.75(4)    yes
Fep23 . Om29 . Mgp23 4_555 96.13(4)    yes
Fep22 . Om29 . Mgp23 4_555 93.75(4)    yes
Fep23 . Om29 . Mgp22 . 95.76(4)    yes
Fep23 4_555 Om29 . Mgp22 . 93.75(4)    yes
Mgp23 4_555 Om29 . Mgp22 . 93.75(4)    yes
Fep22 . Om29 . Mgp23 . 95.76(4)    yes
Fep23 4_555 Om29 . Mgp23 . 96.13(4)    yes
Mgp23 4_555 Om29 . Mgp23 . 96.13(4)    yes
Mgp22 . Om29 . Mgp23 . 95.76(4)    yes
Fep23 . Om29 . Sip44 . 121.55(6)    yes
Fep22 . Om29 . Sip44 . 121.25(5)    yes
Fep23 4_555 Om29 . Sip44 . 121.63(5)    yes
Mgp23 4_555 Om29 . Sip44 . 121.63(5)    yes
Mgp22 . Om29 . Sip44 . 121.25(5)    yes
Fep23 . Om29 . Si4 . 121.55(6)    yes
Fep22 . Om29 . Si4 . 121.25(5)    yes
Fep23 4_555 Om29 . Si4 . 121.63(5)    yes
Mgp23 4_555 Om29 . Si4 . 121.63(5)    yes
Mgp22 . Om29 . Si4 . 121.25(5)    yes
Mgp23 . Om29 . Sip44 . 121.55(6)    yes
Mgp23 . Om29 . Si4 . 121.55(6)    yes
Fep23 . O9 . Fep22 . 95.76(4)    yes
Fep23 . O9 . Fep23 4_555 96.13(4)    yes
Fep22 . O9 . Fep23 4_555 93.75(4)    yes
Fep23 . O9 . Mgp23 4_555 96.13(4)    yes
Fep22 . O9 . Mgp23 4_555 93.75(4)    yes
Fep23 . O9 . Mgp22 . 95.76(4)    yes
Fep23 4_555 O9 . Mgp22 . 93.75(4)    yes
Mgp23 4_555 O9 . Mgp22 . 93.75(4)    yes
Fep22 . O9 . Mgp23 . 95.76(4)    yes
Fep23 4_555 O9 . Mgp23 . 96.13(4)    yes
Mgp23 4_555 O9 . Mgp23 . 96.13(4)    yes
Mgp22 . O9 . Mgp23 . 95.76(4)    yes
Fep23 . O9 . Sip44 . 121.55(6)    yes
Fep22 . O9 . Sip44 . 121.25(5)    yes
Fep23 4_555 O9 . Sip44 . 121.63(5)    yes
Mgp23 4_555 O9 . Sip44 . 121.63(5)    yes
Mgp22 . O9 . Sip44 . 121.25(5)    yes
Fep23 . O9 . Si4 . 121.55(6)    yes
Fep22 . O9 . Si4 . 121.25(5)    yes
Fep23 4_555 O9 . Si4 . 121.63(5)    yes
Mgp23 4_555 O9 . Si4 . 121.63(5)    yes
Mgp22 . O9 . Si4 . 121.25(5)    yes
Mgp23 . O9 . Sip44 . 121.55(6)    yes
Mgp23 . O9 . Si4 . 121.55(6)    yes
Fep23 4_655 Om210 . Fep22 . 95.77(4)    yes
Fep23 4_655 Om210 . Fep23 3_555 96.08(4)    yes
Fep22 . Om210 . Fep23 3_555 93.83(4)    yes
Fep23 4_655 Om210 . Mgp23 3_555 96.08(4)    yes
Fep22 . Om210 . Mgp23 3_555 93.83(4)    yes
Fep23 4_655 Om210 . Mgp22 . 95.77(4)    yes
Fep23 3_555 Om210 . Mgp22 . 93.83(4)    yes
Mgp23 3_555 Om210 . Mgp22 . 93.83(4)    yes
Fep22 . Om210 . Mgp23 4_655 95.77(4)    yes
Fep23 3_555 Om210 . Mgp23 4_655 96.08(4)    yes
Mgp23 3_555 Om210 . Mgp23 4_655 96.08(4)    yes
Mgp22 . Om210 . Mgp23 4_655 95.77(4)    yes
Fep23 4_655 Om210 . Sip45 . 121.50(5)    yes
Fep22 . Om210 . Sip45 . 121.24(6)    yes
Fep23 3_555 Om210 . Sip45 . 121.66(5)    yes
Mgp23 3_555 Om210 . Sip45 . 121.66(5)    yes
Mgp22 . Om210 . Sip45 . 121.24(6)    yes
Fep23 4_655 Om210 . Si5 . 121.50(5)    yes
Fep22 . Om210 . Si5 . 121.24(6)    yes
Fep23 3_555 Om210 . Si5 . 121.66(5)    yes
Mgp23 3_555 Om210 . Si5 . 121.66(5)    yes
Mgp22 . Om210 . Si5 . 121.24(6)    yes
Mgp23 4_655 Om210 . Sip45 . 121.50(5)    yes
Mgp23 4_655 Om210 . Si5 . 121.50(5)    yes
Fep23 4_655 O10 . Fep22 . 95.77(4)    yes
Fep23 4_655 O10 . Fep23 3_555 96.08(4)    yes
Fep22 . O10 . Fep23 3_555 93.83(4)    yes
Fep23 4_655 O10 . Mgp23 3_555 96.08(4)    yes
Fep22 . O10 . Mgp23 3_555 93.83(4)    yes
Fep23 4_655 O10 . Mgp22 . 95.77(4)    yes
Fep23 3_555 O10 . Mgp22 . 93.83(4)    yes
Mgp23 3_555 O10 . Mgp22 . 93.83(4)    yes
Fep22 . O10 . Mgp23 4_655 95.77(4)    yes
Fep23 3_555 O10 . Mgp23 4_655 96.08(4)    yes
Mgp23 3_555 O10 . Mgp23 4_655 96.08(4)    yes
Mgp22 . O10 . Mgp23 4_655 95.77(4)    yes
Fep23 4_655 O10 . Sip45 . 121.50(5)    yes
Fep22 . O10 . Sip45 . 121.24(6)    yes
Fep23 3_555 O10 . Sip45 . 121.66(5)    yes
Mgp23 3_555 O10 . Sip45 . 121.66(5)    yes
Mgp22 . O10 . Sip45 . 121.24(6)    yes
Fep23 4_655 O10 . Si5 . 121.50(5)    yes
Fep22 . O10 . Si5 . 121.24(6)    yes
Fep23 3_555 O10 . Si5 . 121.66(5)    yes
Mgp23 3_555 O10 . Si5 . 121.66(5)    yes
Mgp22 . O10 . Si5 . 121.24(6)    yes
Mgp23 4_655 O10 . Sip45 . 121.50(5)    yes
Mgp23 4_655 O10 . Si5 . 121.50(5)    yes
Mgp23 2_655 Om211 . Mgp23 1_655 95.94(4)    yes
Mgp23 2_655 Om211 . Mgp22 . 97.30(4)    yes
Mgp23 1_655 Om211 . Mgp22 . 97.25(5)    yes
Mgp23 2_655 Om211 . Fep22 . 97.30(4)    yes
Mgp23 1_655 Om211 . Fep22 . 97.25(5)    yes
Mgp23 2_655 Om211 . Fep23 1_655 95.94(4)    yes
Mgp22 . Om211 . Fep23 1_655 97.25(5)    yes
Fep22 . Om211 . Fep23 1_655 97.25(5)    yes
Mgp23 1_655 Om211 . Fep23 2_655 95.94(4)    yes
Mgp22 . Om211 . Fep23 2_655 97.30(4)    yes
Fep22 . Om211 . Fep23 2_655 97.30(4)    yes
Fep23 1_655 Om211 . Fep23 2_655 95.94(4)    yes
Mgp23 2_655 Om211 . H111 . 121.6    no
Mgp23 1_655 Om211 . H111 . 121.4    no
Mgp22 . Om211 . H111 . 117.8    no
Fep22 . Om211 . H111 . 117.8    no
Fep23 1_655 Om211 . H111 . 121.4    no
Fep23 2_655 Om211 . H111 . 121.6    no
Mgp23 2_655 O11 . Mgp23 1_655 95.94(4)    yes
Mgp23 2_655 O11 . Mgp22 . 97.30(4)    yes
Mgp23 1_655 O11 . Mgp22 . 97.25(5)    yes
Mgp23 2_655 O11 . Fep22 . 97.30(4)    yes
Mgp23 1_655 O11 . Fep22 . 97.25(5)    yes
Mgp23 2_655 O11 . Fep23 1_655 95.94(4)    yes
Mgp22 . O11 . Fep23 1_655 97.25(5)    yes
Fep22 . O11 . Fep23 1_655 97.25(5)    yes
Mgp23 1_655 O11 . Fep23 2_655 95.94(4)    yes
Mgp22 . O11 . Fep23 2_655 97.30(4)    yes
Fep22 . O11 . Fep23 2_655 97.30(4)    yes
Fep23 1_655 O11 . Fep23 2_655 95.94(4)    yes
Mgp23 2_655 O11 . H111 . 121.6    no
Mgp23 1_655 O11 . H111 . 121.4    no
Mgp22 . O11 . H111 . 117.8    no
Fep22 . O11 . H111 . 117.8    no
Fep23 1_655 O11 . H111 . 121.4    no
Fep23 2_655 O11 . H111 . 121.6    no


_iucr_refine_instruction_details_constraints
;
#
# Punched on 20/06/11 at 13:13:58
#
#LIST     12                                                                    
FULL 
CONT  KP1(1,OCC) UNTIL FEP2(3) H(111, X'S, OCC) 
CONT KP1(1,Y) 
CONT KP1(1, U[11], U[22], U[33], U[13]) 
RIDE MGP2 (2, U'S) FEP2 (2, U'S) 
RIDE MGP2 (3, X'S, U'S) FEP2 (3, X'S, U'S) 
RIDE SIP4(4,OCC, X'S,U'S) SI(4, OCC, X'S,U'S) 
WEIGHT -1 SI(4,OCC) 
RIDE SIP4(5,OCC, X'S,U'S) SI(5,OCC, X'S,U'S) 
WEIGHT -1 SI(5,OCC) 
RIDE OM2(6,OCC, X'S,U'S) O(6,OCC,X'S,U'S) 
WEIGHT -1 O(6, OCC) 
RIDE OM2(7,OCC, X'S,U'S) O(7,OCC, X'S,U'S) 
WEIGHT -1 O(7, OCC) 
RIDE OM2(8,OCC, X'S,U'S) O(8,OCC, X'S,U'S) 
WEIGHT -1 O(8, OCC) 
RIDE OM2(9,OCC, X'S,U'S) O(9,OCC, X'S,U'S) 
WEIGHT -1 O(9, OCC) 
RIDE OM2(10,OCC, X'S,U'S) O(10,OCC, X'S,U'S) 
WEIGHT -1 O(10, OCC) 
RIDE OM2(11,OCC) O(11,OCC) 
WEIGHT -1 O(11, OCC) 
RIDE OM2(11, X'S) O(11, X'S) 
RIDE OM2(11,U'S) O(11,,U'S) H(111, U'S) 
WEIGHT 1.5 H(111, U'S) 
END                                                                             
;


_iucr_refine_instruction_details_restraints
;
#
# Punched on 20/06/11 at 13:13:58
#
#LIST     16                                                                    
RESTR 0.5, 0.2 = KP1(1,OCC) 
RESTR .50, .001 =  MGP2(2,OCC)+ FEP2(2,OCC) 
RESTR 1.0,.01 = MGP2(3,OCC)+FEP2(3,OCC) 
END                                                                             
;
