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

data_New_Global_Publ_Block

# Added by publCIF - use a unique identifier for each data block

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


# SUBMISSION DETAILS

_publ_contact_author_name            
'Fernando Scordari'   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence

;
Dipartimento di Scienze della Terra e Geoambientali, Universit\`a degli Studi di
Bari, via E. Orabona 4, I-70125 Bari, Italy
;

_publ_contact_author_email           'fernando.scordari@uniba.it'
_publ_contact_author_fax             '+39 080 5442597'
_publ_contact_author_phone           '+39 080 5442587'

   
_publ_requested_journal              'American Mineralogist'

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

data_global 

_audit_update_record
;
2012-10-16 # Formatted by publCIF
;
_audit_creation_date        "12-10-16"
_audit_creation_method CRYSTALS_ver_14.23

_oxford_structure_analysis_title  'Bu1_13_twin in C2/m'
_chemical_name_systematic         ?
_chemical_melting_point           ?

 
_publ_section_title 
;
3<i>T</i>-PHLOGOPITE FROM KASENYI KAMAFUGITE (SW UGANDA): EPMA, XPS, FTIR AND
SCXRD STUDY
;
 
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary. 
loop_
_publ_author_name
_publ_author_address
_publ_author_footnote
_publ_author_email
'Schingaro, Emanuela'
;
Dipartimento di Scienze della Terra e Geoambientali, Universit degli Studi di
Bari, via E. Orabona 4, I-70125 Bari, Italy
;
.
;
emanuela.schingaro@uniba.it
;
'Maria, Lacalamita'
;
Dipartimento di Scienze della Terra e Geoambientali, Universit degli Studi di
Bari, via E. Orabona 4, I-70125 Bari, Italy
;
.
;
maria.lacalmita@uniba.it
;
'Scordari, Fernando'
;
Dipartimento di Scienze della Terra e Geoambientali, Universit degli Studi di
Bari, via E. Orabona 4, I-70125 Bari, Italy
;
.
;
fernando.scordari@uniba.it
;
'Mesto, Ernesto'
;
Dipartimento di Scienze della Terra e Geoambientali, Universit degli Studi di
Bari, via E. Orabona 4, I-70125 Bari, Italy
;
.
;
ernesto.mesto@uniba.it
;






 
 
 
_publ_section_exptl_refinement 
;
Friedel pairs were merged. and 1M polytype twin elements have been refined.

The refinement does not converge.
; 
 
data_1  
_cell_length_a                    5.3283(2)
_cell_length_b                    9.2255(3)
_cell_length_c                    10.2204(4)
_cell_angle_alpha                 90
_cell_angle_beta                  100.007(2)
_cell_angle_gamma                 90
_cell_volume                      494.75(3)
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'C 1 2/m 1 ' 
_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'
 'x,-y,z'
 '-x+1/2,y+1/2,-z'
 'x+1/2,-y+1/2,z'

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'
 Lip1    0.0000   0.0000   0.6968   4.6237   0.7888   1.9557   0.3414   0.6316
   0.1563  10.0953   0.0167 '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'
 Cap2    0.2030   0.3060  15.6348  -0.0074   7.9518   0.6089   8.4372  10.3116
   0.8537  25.9905 -14.8750 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Nap1    0.0300   0.0250   3.2565   2.6671   3.9362   6.1153   1.3998   0.2001
   1.0032  14.0390   0.4040 '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'
 Fep3    0.3010   0.8450  11.1764   4.6147   7.3863   0.3005   3.3948  11.6729
   0.0724  38.5566   0.9707 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Alp3    0.0560   0.0520   4.1745   1.9382   3.3876   4.1455   1.2030   0.2288
   0.5281   8.2852   0.7068 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Crp3    0.2840   0.6240   9.6809   5.5946   7.8114   0.3344   2.8760  12.8288
   0.1136  32.8761   0.5183 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Zrp4   -2.9650   0.5600  18.1668   1.2148  10.0562  10.1483   1.0112  21.6054
  -2.6479  -0.1028   9.4145 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Tip4    0.2480   0.4460  19.5114   0.1789   8.2347   6.6702   2.0134  -0.2926
   1.5208  12.9464 -13.2800 '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'
 Om1     0.0080   0.0060   4.1916  12.8573   1.6397   4.1724   1.5267  47.0179
 -20.3070  -0.0140  21.9412 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 F       0.0140   0.0100   3.5392  10.2825   2.6412   4.2944   1.5170   0.2615
   1.0243  26.1476   0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 Fm1     0.0140   0.0100   3.6322   5.2776   3.5106  14.7353   1.2606   0.4423
   0.9407  47.3437   0.6534 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
 
 
_cell_formula_units_Z                    2
_chemical_formula_sum             'Fep20.23 Kp10.24 Mgp21.02 O4.88 Om25.12 Si2.12 Sip41.82'
_chemical_formula_moiety          'Fep20.23 Kp10.24 Mgp21.02 O4.88 Om25.12 Si2.12 Sip41.82'
_chemical_compound_source                ?
_chemical_formula_weight            431.28
 
 
_cell_measurement_reflns_used            0
_cell_measurement_theta_min              0
_cell_measurement_theta_max              0
_cell_measurement_temperature          293
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_min           0.02 
_exptl_crystal_size_mid           0.32
_exptl_crystal_size_max           0.58 
 
_exptl_crystal_density_diffrn     2.895 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
# Non-dispersive F(000): 
_exptl_crystal_F_000              316.585 
_exptl_absorpt_coefficient_mu     4.793 
 
# Sheldrick geometric approximatio 1.00 1.00 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   1.0000 
_exptl_absorpt_correction_T_max   1.0000 
_diffrn_measurement_device_type   'Unknown' 
_diffrn_measurement_device        'Serial' 
_diffrn_radiation_monochromator   'graphite' 
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength           0.71073
_diffrn_measurement_method        \w/2\q 
 
# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection        'USER DEFINED DATA COLLECTION' 
_computing_cell_refinement        'USER DEFINED CELL REFINEMENT' 
_computing_data_reduction         'USER DEFINED DATA REDUCTION' 
_computing_structure_solution     'USER DEFINED STRUCTURE SOLUTION' 
_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             2677 
_reflns_number_total              1208 
_diffrn_reflns_av_R_equivalents   0.000 
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 1208 
# Theoretical number of reflections is about 2394 
 
 
_diffrn_reflns_theta_min          2.023 
_diffrn_reflns_theta_max          36.325 
_diffrn_measured_fraction_theta_max 0.855 
 
_diffrn_reflns_theta_full         25.064 
_diffrn_measured_fraction_theta_full 0.933 
 
 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        8 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        17 
_reflns_limit_h_min               -8 
_reflns_limit_h_max               8 
_reflns_limit_k_min               0 
_reflns_limit_k_max               15 
_reflns_limit_l_min               0 
_reflns_limit_l_max               17 
 
_oxford_diffrn_Wilson_B_factor    0.00 
_oxford_diffrn_Wilson_scale       0.00 
 
_atom_sites_solution_primary      Other  #heavy,direct,difmap,geom
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens    difmap
 
_refine_diff_density_min          -1.30 
_refine_diff_density_max          1.50 
 
 
# 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          1399 
_refine_ls_number_restraints      24 
_refine_ls_number_parameters      71 
_oxford_refine_ls_R_factor_ref    0.0472 
_refine_ls_wR_factor_ref          0.0456 
_refine_ls_goodness_of_fit_ref    0.8934 
_refine_ls_shift/su_max           1.8383081 
_refine_ls_shift/su_mean          0.3236200 
 
 
# The values computed from all data 
_oxford_reflns_number_all         2677 
_refine_ls_R_factor_all           0.0817 
_refine_ls_wR_factor_all          0.0554 
 
# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression      I>2.0\s(I)
_reflns_number_gt                 1484 
_refine_ls_R_factor_gt            0.0495 
_refine_ls_wR_factor_gt           0.0466 
 
# 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, undef, noref, refall,
                                                 # refxyz, refU, constr or mixed
 
# WARNING. The IUCr will not accept Unit Weights 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
;
 Method= Quasi-Unit weights 
 W = 1.0 or 1./2F 
;
# 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). <i>J. Appl. Cryst.</i> <b>36</b>, 1487--?.

Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). <i>CAMERON</i>, Chemical
Crystallography Laboratory, Oxford, UK.
; 

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

# Replace last . with number of unfound hydrogen atoms attached 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 0.5000 0.0000 0.0326 0.9696(9) Uani . . P . . . 
Mgp22 Mgp2 0.0000 0.0000 0.5000 0.0116 0.8043(8) Uani . . P . . . 
Fep22 Fep2 0.0000 0.0000 0.5000 0.0116 0.1958(8) Uani . . P . . . 
Mgp23 Mgp2 0.0000 0.33721(19) 0.5000 0.0103 0.8190(8) Uani . . P . . . 
Fep23 Fep2 0.0000 0.33721(19) 0.5000 0.0104 0.1811(8) Uani . . P . . . 
Sip44 Sip4 0.0752(4) 0.16660(13) 0.22655(6) 0.0093 0.4562(10) Uani . . P . . . 
Si4 Si 0.0752(4) 0.16660(13) 0.22655(6) 0.0093 0.5305(10) Uani . . P . . . 
Om25 Om2 0.3253(8) 0.2308(4) 0.1689(3) 0.0185 0.5000(8) Uani . . P . . . 
O5 O 0.3253(8) 0.2308(4) 0.1689(3) 0.0185 0.4998(8) Uani . . P . . . 
Om26 Om2 0.0178(12) 0.0000 0.1692(6) 0.0182 0.5129(8) Uani . . P . . . 
O6 O 0.0178(12) 0.0000 0.1692(6) 0.0182 0.4867(8) Uani . . P . . . 
Om27 Om2 0.1270(13) 0.1663(3) 0.3907(2) 0.0103 0.5035(8) Uani . . P . . . 
O7 O 0.1270(13) 0.1663(3) 0.3907(2) 0.0103 0.4967(8) Uani . . P . . . 
Om28 Om2 0.1324(16) 0.5000 0.3981(4) 0.0112 0.5974(8) Uani . . P . . . 
O8 O 0.1324(16) 0.5000 0.3981(4) 0.0112 0.4034(8) Uani . . P . . . 
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Kp11 0.0302(15) 0.0339(14) 0.0342(9) 0.0000 0.0068(14) 0.0000 
Mgp22 0.0146(17) 0.0058(12) 0.0143(12) 0.0000 0.0025(13) 0.0000 
Fep22 0.0146(17) 0.0058(12) 0.0143(12) 0.0000 0.0025(13) 0.0000 
Mgp23 0.0095(13) 0.0088(11) 0.0125(6) 0.0000 0.0016(11) 0.0000 
Fep23 0.0095(13) 0.0088(11) 0.0125(6) 0.0000 0.0011(11) 0.0000 
Sip44 0.0091(7) 0.0073(6) 0.0121(2) 0.0000(4) 0.0032(6) -0.0003(4) 
Si4 0.0091(7) 0.0073(6) 0.0121(2) 0.0000(4) 0.0032(6) -0.0003(4) 
Om25 0.0162(18) 0.0216(17) 0.0183(16) -0.0028(13) 0.0049(15) -0.0042(12) 
O5 0.0162(18) 0.0216(17) 0.0183(16) -0.0028(13) 0.0049(15) -0.0042(12) 
Om26 0.028(3) 0.010(2) 0.015(3) 0.0000 -0.001(2) 0.0000 
O6 0.028(3) 0.010(2) 0.015(3) 0.0000 -0.001(2) 0.0000 
Om27 0.011(2) 0.0075(16) 0.0140(9) -0.0005(11) 0.0054(17) -0.0003(11) 
O7 0.011(2) 0.0075(16) 0.0140(9) -0.0005(11) 0.0054(17) -0.0003(11) 
Om28 0.017(3) 0.010(2) 0.0077(15) 0.0000 0.004(2) 0.0000 
O8 0.017(3) 0.010(2) 0.0077(15) 0.0000 0.004(2) 0.0000 

_refine_ls_extinction_method 
    'None'
_oxford_refine_ls_scale 0.604(3) 

loop_
    _oxford_twin_element_scale_factors
         0.374(6) 
         0.370(12) 
         0.256(12) 
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 . Om28 4_556 2.052(8)    yes
Mgp22 . O8 7_546 2.052(8)    yes
Mgp22 . O8 3_445 2.052(8)    yes
Mgp22 . Om28 3_445 2.052(8)    yes
Mgp22 . O7 6_555 2.079(4)    yes
Mgp22 . Om27 6_555 2.079(4)    yes
Mgp22 . O7 5_556 2.079(4)    yes
Mgp22 . O7 2_556 2.079(4)    yes
Mgp22 . Om27 . 2.079(4)    yes
Mgp22 . O7 . 2.079(4)    yes
Fep22 . O7 2_556 2.079(4)    yes
Fep22 . O7 5_556 2.079(4)    yes
Fep22 . Om27 2_556 2.079(4)    yes
Fep22 . Om27 5_556 2.079(4)    yes
Fep22 . Om27 6_555 2.079(4)    yes
Fep22 . O7 6_555 2.079(4)    yes
Fep22 . Om28 3_445 2.052(8)    yes
Fep22 . O8 3_445 2.052(8)    yes
Fep22 . Om28 7_546 2.052(8)    yes
Fep22 . O8 4_556 2.052(8)    yes
Fep22 . Sip44 . 3.2746(9)    yes
Fep22 . Si4 . 3.2746(9)    yes
Fep22 . Om27 . 2.079(4)    yes
Fep22 . O7 . 2.079(4)    yes
Mgp23 . Om28 2_566 2.023(4)    yes
Mgp23 . O8 2_566 2.023(4)    yes
Mgp23 . Om27 8_455 2.104(6)    yes
Mgp23 . O7 8_455 2.104(6)    yes
Mgp23 . Om27 4_556 2.104(6)    yes
Mgp23 . O7 4_556 2.104(6)    yes
Mgp23 . Om27 5_556 2.111(4)    yes
Mgp23 . O7 5_556 2.111(4)    yes
Mgp23 . Om27 . 2.111(4)    yes
Mgp23 . O7 . 2.111(4)    yes
Mgp23 . Om28 . 2.023(4)    yes
Mgp23 . O8 . 2.023(4)    yes
Fep23 . Om27 5_556 2.111(4)    yes
Fep23 . O7 5_556 2.111(4)    yes
Fep23 . Om27 4_556 2.104(6)    yes
Fep23 . O7 4_556 2.104(6)    yes
Fep23 . Om27 8_455 2.104(6)    yes
Fep23 . O7 8_455 2.104(6)    yes
Fep23 . O8 2_566 2.023(4)    yes
Fep23 . Om28 5_556 2.023(4)    yes
Fep23 . Om27 . 2.111(4)    yes
Fep23 . O7 . 2.111(4)    yes
Fep23 . Om28 . 2.023(4)    yes
Fep23 . O8 . 2.023(4)    yes
Sip44 . Om25 8_455 1.657(5)    yes
Sip44 . O5 8_455 1.657(5)    yes
Sip44 . Si4 8_555 3.0767(12)    yes
Sip44 . Sip44 8_555 3.0767(12)    yes
Sip44 . Sip44 8_455 3.0767(12)    yes
Sip44 . Si4 8_455 3.0767(12)    yes
Sip44 . Om25 . 1.657(5)    yes
Sip44 . O5 . 1.657(5)    yes
Sip44 . Om26 . 1.654(2)    yes
Sip44 . O6 . 1.654(2)    yes
Sip44 . Om27 . 1.653(2)    yes
Sip44 . O7 . 1.653(2)    yes
Si4 . Om25 8_455 1.657(5)    yes
Si4 . O5 8_455 1.657(5)    yes
Si4 . Si4 8_555 3.0767(12)    yes
Si4 . Si4 8_455 3.0767(12)    yes
Si4 . Om25 . 1.657(5)    yes
Si4 . O5 . 1.657(5)    yes
Si4 . Om26 . 1.654(2)    yes
Si4 . O6 . 1.654(2)    yes
Si4 . Om27 . 1.653(2)    yes
Si4 . O7 . 1.653(2)    yes
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
Om28 4_556 Mgp22 . O8 3_445 179.994    yes
O8 7_546 Mgp22 . O8 3_445 179.994    yes
Om28 4_556 Mgp22 . Om28 3_445 179.994    yes
O8 7_546 Mgp22 . Om28 3_445 179.994    yes
Om28 4_556 Mgp22 . O7 6_555 84.35(13)    yes
O8 7_546 Mgp22 . O7 6_555 84.35(13)    yes
O8 3_445 Mgp22 . O7 6_555 95.65(13)    yes
Om28 3_445 Mgp22 . O7 6_555 95.65(13)    yes
Om28 4_556 Mgp22 . Om27 6_555 84.35(13)    yes
O8 7_546 Mgp22 . Om27 6_555 84.35(13)    yes
O8 3_445 Mgp22 . Om27 6_555 95.65(13)    yes
Om28 3_445 Mgp22 . Om27 6_555 95.65(13)    yes
Om28 4_556 Mgp22 . O7 5_556 95.65(13)    yes
O8 7_546 Mgp22 . O7 5_556 95.65(13)    yes
O8 3_445 Mgp22 . O7 5_556 84.35(13)    yes
Om28 3_445 Mgp22 . O7 5_556 84.35(13)    yes
O7 6_555 Mgp22 . O7 5_556 179.994    yes
Om28 4_556 Mgp22 . O7 2_556 95.65(13)    yes
O8 7_546 Mgp22 . O7 2_556 95.65(13)    yes
O8 3_445 Mgp22 . O7 2_556 84.35(13)    yes
Om28 3_445 Mgp22 . O7 2_556 84.35(13)    yes
O7 6_555 Mgp22 . O7 2_556 84.9(2)    yes
Om28 4_556 Mgp22 . Om27 . 84.35(13)    yes
O8 7_546 Mgp22 . Om27 . 84.35(13)    yes
O8 3_445 Mgp22 . Om27 . 95.65(13)    yes
Om28 3_445 Mgp22 . Om27 . 95.65(13)    yes
O7 6_555 Mgp22 . Om27 . 95.1(2)    yes
Om28 4_556 Mgp22 . O7 . 84.35(13)    yes
O8 7_546 Mgp22 . O7 . 84.35(13)    yes
O8 3_445 Mgp22 . O7 . 95.65(13)    yes
Om28 3_445 Mgp22 . O7 . 95.65(13)    yes
O7 6_555 Mgp22 . O7 . 95.1(2)    yes
Om27 6_555 Mgp22 . O7 5_556 179.994    yes
Om27 6_555 Mgp22 . O7 2_556 84.9(2)    yes
O7 5_556 Mgp22 . O7 2_556 95.1(2)    yes
Om27 6_555 Mgp22 . Om27 . 95.1(2)    yes
O7 5_556 Mgp22 . Om27 . 84.9(2)    yes
O7 2_556 Mgp22 . Om27 . 179.994    yes
Om27 6_555 Mgp22 . O7 . 95.1(2)    yes
O7 5_556 Mgp22 . O7 . 84.9(2)    yes
O7 2_556 Mgp22 . O7 . 179.994    yes
O7 2_556 Fep22 . O7 5_556 95.1(2)    yes
O7 5_556 Fep22 . Om27 2_556 95.1(2)    yes
O7 2_556 Fep22 . Om27 5_556 95.1(2)    yes
Om27 2_556 Fep22 . Om27 5_556 95.1(2)    yes
O7 2_556 Fep22 . Om27 6_555 84.9(2)    yes
O7 5_556 Fep22 . Om27 6_555 179.994    yes
Om27 2_556 Fep22 . Om27 6_555 84.9(2)    yes
Om27 5_556 Fep22 . Om27 6_555 179.994    yes
O7 2_556 Fep22 . O7 6_555 84.9(2)    yes
O7 5_556 Fep22 . O7 6_555 179.994    yes
Om27 2_556 Fep22 . O7 6_555 84.9(2)    yes
Om27 5_556 Fep22 . O7 6_555 179.994    yes
O7 2_556 Fep22 . Om28 3_445 84.35(13)    yes
O7 5_556 Fep22 . Om28 3_445 84.35(13)    yes
Om27 2_556 Fep22 . Om28 3_445 84.35(13)    yes
Om27 5_556 Fep22 . Om28 3_445 84.35(13)    yes
Om27 6_555 Fep22 . Om28 3_445 95.65(13)    yes
O7 2_556 Fep22 . O8 3_445 84.35(13)    yes
O7 5_556 Fep22 . O8 3_445 84.35(13)    yes
Om27 2_556 Fep22 . O8 3_445 84.35(13)    yes
Om27 5_556 Fep22 . O8 3_445 84.35(13)    yes
Om27 6_555 Fep22 . O8 3_445 95.65(13)    yes
O7 2_556 Fep22 . Om28 7_546 95.65(13)    yes
O7 5_556 Fep22 . Om28 7_546 95.65(13)    yes
Om27 2_556 Fep22 . Om28 7_546 95.65(13)    yes
Om27 5_556 Fep22 . Om28 7_546 95.65(13)    yes
Om27 6_555 Fep22 . Om28 7_546 84.35(13)    yes
O7 2_556 Fep22 . O8 4_556 95.65(13)    yes
O7 5_556 Fep22 . O8 4_556 95.65(13)    yes
Om27 2_556 Fep22 . O8 4_556 95.65(13)    yes
Om27 5_556 Fep22 . O8 4_556 95.65(13)    yes
Om27 6_555 Fep22 . O8 4_556 84.35(13)    yes
O7 2_556 Fep22 . Sip44 . 154.75(9)    yes
O7 5_556 Fep22 . Sip44 . 102.22(8)    yes
Om27 2_556 Fep22 . Sip44 . 154.75(9)    yes
Om27 5_556 Fep22 . Sip44 . 102.22(8)    yes
Om27 6_555 Fep22 . Sip44 . 77.78(8)    yes
O7 2_556 Fep22 . Si4 . 154.75(9)    yes
O7 5_556 Fep22 . Si4 . 102.22(8)    yes
Om27 2_556 Fep22 . Si4 . 154.75(9)    yes
Om27 5_556 Fep22 . Si4 . 102.22(8)    yes
Om27 6_555 Fep22 . Si4 . 77.78(8)    yes
O7 2_556 Fep22 . Om27 . 179.994    yes
O7 5_556 Fep22 . Om27 . 84.9(2)    yes
Om27 2_556 Fep22 . Om27 . 179.994    yes
Om27 5_556 Fep22 . Om27 . 84.9(2)    yes
Om27 6_555 Fep22 . Om27 . 95.1(2)    yes
O7 2_556 Fep22 . O7 . 179.994    yes
O7 5_556 Fep22 . O7 . 84.9(2)    yes
Om27 2_556 Fep22 . O7 . 179.994    yes
Om27 5_556 Fep22 . O7 . 84.9(2)    yes
Om27 6_555 Fep22 . O7 . 95.1(2)    yes
O7 6_555 Fep22 . Om28 3_445 95.65(13)    yes
O7 6_555 Fep22 . O8 3_445 95.65(13)    yes
O7 6_555 Fep22 . Om28 7_546 84.35(13)    yes
Om28 3_445 Fep22 . Om28 7_546 179.994    yes
O8 3_445 Fep22 . Om28 7_546 179.994    yes
O7 6_555 Fep22 . O8 4_556 84.35(13)    yes
Om28 3_445 Fep22 . O8 4_556 179.994    yes
O8 3_445 Fep22 . O8 4_556 179.994    yes
O7 6_555 Fep22 . Sip44 . 77.78(8)    yes
Om28 3_445 Fep22 . Sip44 . 79.31(13)    yes
O8 3_445 Fep22 . Sip44 . 79.31(13)    yes
Om28 7_546 Fep22 . Sip44 . 100.69(13)    yes
O8 4_556 Fep22 . Sip44 . 100.69(13)    yes
O7 6_555 Fep22 . Si4 . 77.78(8)    yes
Om28 3_445 Fep22 . Si4 . 79.31(13)    yes
O8 3_445 Fep22 . Si4 . 79.31(13)    yes
Om28 7_546 Fep22 . Si4 . 100.69(13)    yes
O8 4_556 Fep22 . Si4 . 100.69(13)    yes
O7 6_555 Fep22 . Om27 . 95.1(2)    yes
Om28 3_445 Fep22 . Om27 . 95.65(13)    yes
O8 3_445 Fep22 . Om27 . 95.65(13)    yes
Om28 7_546 Fep22 . Om27 . 84.35(13)    yes
O8 4_556 Fep22 . Om27 . 84.35(13)    yes
O7 6_555 Fep22 . O7 . 95.1(2)    yes
Om28 3_445 Fep22 . O7 . 95.65(13)    yes
O8 3_445 Fep22 . O7 . 95.65(13)    yes
Om28 7_546 Fep22 . O7 . 84.35(13)    yes
O8 4_556 Fep22 . O7 . 84.35(13)    yes
Sip44 . Fep22 . Om27 . 25.25(9)    yes
Si4 . Fep22 . Om27 . 25.25(9)    yes
Sip44 . Fep22 . O7 . 25.25(9)    yes
Si4 . Fep22 . O7 . 25.25(9)    yes
Om28 2_566 Mgp23 . Om27 8_455 84.43(19)    yes
O8 2_566 Mgp23 . Om27 8_455 84.43(19)    yes
Om28 2_566 Mgp23 . O7 8_455 84.43(19)    yes
O8 2_566 Mgp23 . O7 8_455 84.43(19)    yes
Om28 2_566 Mgp23 . Om27 4_556 96.88(18)    yes
O8 2_566 Mgp23 . Om27 4_556 96.88(18)    yes
Om27 8_455 Mgp23 . Om27 4_556 178.24(19)    yes
O7 8_455 Mgp23 . Om27 4_556 178.24(19)    yes
Om28 2_566 Mgp23 . O7 4_556 96.88(18)    yes
O8 2_566 Mgp23 . O7 4_556 96.88(18)    yes
Om27 8_455 Mgp23 . O7 4_556 178.24(19)    yes
O7 8_455 Mgp23 . O7 4_556 178.24(19)    yes
Om28 2_566 Mgp23 . Om27 5_556 96.3(2)    yes
O8 2_566 Mgp23 . Om27 5_556 96.3(2)    yes
Om27 8_455 Mgp23 . Om27 5_556 84.79(14)    yes
O7 8_455 Mgp23 . Om27 5_556 84.79(14)    yes
Om27 4_556 Mgp23 . Om27 5_556 93.89(14)    yes
Om28 2_566 Mgp23 . O7 5_556 96.3(2)    yes
O8 2_566 Mgp23 . O7 5_556 96.3(2)    yes
Om27 8_455 Mgp23 . O7 5_556 84.79(14)    yes
O7 8_455 Mgp23 . O7 5_556 84.79(14)    yes
Om27 4_556 Mgp23 . O7 5_556 93.89(14)    yes
Om28 2_566 Mgp23 . Fep22 3_555 91.0(2)    yes
O8 2_566 Mgp23 . Fep22 3_555 91.0(2)    yes
Om27 8_455 Mgp23 . Fep22 3_555 138.59(11)    yes
O7 8_455 Mgp23 . Fep22 3_555 138.59(11)    yes
Om27 4_556 Mgp23 . Fep22 3_555 42.69(10)    yes
Om28 2_566 Mgp23 . Om27 . 178.31(18)    yes
O8 2_566 Mgp23 . Om27 . 178.31(18)    yes
Om27 8_455 Mgp23 . Om27 . 93.89(14)    yes
O7 8_455 Mgp23 . Om27 . 93.89(14)    yes
Om27 4_556 Mgp23 . Om27 . 84.79(14)    yes
Om28 2_566 Mgp23 . O7 . 178.31(18)    yes
O8 2_566 Mgp23 . O7 . 178.31(18)    yes
Om27 8_455 Mgp23 . O7 . 93.89(14)    yes
O7 8_455 Mgp23 . O7 . 93.89(14)    yes
Om27 4_556 Mgp23 . O7 . 84.79(14)    yes
Om28 2_566 Mgp23 . Om28 . 84.1(3)    yes
O8 2_566 Mgp23 . Om28 . 84.1(3)    yes
Om27 8_455 Mgp23 . Om28 . 96.88(18)    yes
O7 8_455 Mgp23 . Om28 . 96.88(18)    yes
Om27 4_556 Mgp23 . Om28 . 84.43(19)    yes
Om28 2_566 Mgp23 . O8 . 84.1(3)    yes
O8 2_566 Mgp23 . O8 . 84.1(3)    yes
Om27 8_455 Mgp23 . O8 . 96.88(18)    yes
O7 8_455 Mgp23 . O8 . 96.88(18)    yes
Om27 4_556 Mgp23 . O8 . 84.43(19)    yes
O7 4_556 Mgp23 . Om27 5_556 93.89(14)    yes
O7 4_556 Mgp23 . O7 5_556 93.89(14)    yes
O7 4_556 Mgp23 . Fep22 3_555 42.69(10)    yes
Om27 5_556 Mgp23 . Fep22 3_555 136.58(17)    yes
O7 5_556 Mgp23 . Fep22 3_555 136.58(17)    yes
O7 4_556 Mgp23 . Om27 . 84.79(14)    yes
Om27 5_556 Mgp23 . Om27 . 83.3(2)    yes
O7 5_556 Mgp23 . Om27 . 83.3(2)    yes
Fep22 3_555 Mgp23 . Om27 . 90.43(17)    yes
O7 4_556 Mgp23 . O7 . 84.79(14)    yes
Om27 5_556 Mgp23 . O7 . 83.3(2)    yes
O7 5_556 Mgp23 . O7 . 83.3(2)    yes
Fep22 3_555 Mgp23 . O7 . 90.43(17)    yes
O7 4_556 Mgp23 . Om28 . 84.43(19)    yes
Om27 5_556 Mgp23 . Om28 . 178.31(18)    yes
O7 5_556 Mgp23 . Om28 . 178.31(18)    yes
Fep22 3_555 Mgp23 . Om28 . 41.7(2)    yes
Om27 . Mgp23 . Om28 . 96.3(2)    yes
O7 4_556 Mgp23 . O8 . 84.43(19)    yes
Om27 5_556 Mgp23 . O8 . 178.31(18)    yes
O7 5_556 Mgp23 . O8 . 178.31(18)    yes
Fep22 3_555 Mgp23 . O8 . 41.7(2)    yes
Om27 . Mgp23 . O8 . 96.3(2)    yes
O7 . Mgp23 . Om28 . 96.3(2)    yes
O7 . Mgp23 . O8 . 96.3(2)    yes
Om27 5_556 Fep23 . Om27 4_556 93.89(14)    yes
O7 5_556 Fep23 . Om27 4_556 93.89(14)    yes
Om27 5_556 Fep23 . O7 4_556 93.89(14)    yes
O7 5_556 Fep23 . O7 4_556 93.89(14)    yes
Om27 5_556 Fep23 . Om27 8_455 84.79(14)    yes
O7 5_556 Fep23 . Om27 8_455 84.79(14)    yes
Om27 4_556 Fep23 . Om27 8_455 178.24(19)    yes
O7 4_556 Fep23 . Om27 8_455 178.24(19)    yes
Om27 5_556 Fep23 . O7 8_455 84.79(14)    yes
O7 5_556 Fep23 . O7 8_455 84.79(14)    yes
Om27 4_556 Fep23 . O7 8_455 178.24(19)    yes
O7 4_556 Fep23 . O7 8_455 178.24(19)    yes
Om27 5_556 Fep23 . O8 2_566 96.3(2)    yes
O7 5_556 Fep23 . O8 2_566 96.3(2)    yes
Om27 4_556 Fep23 . O8 2_566 96.88(18)    yes
O7 4_556 Fep23 . O8 2_566 96.88(18)    yes
Om27 8_455 Fep23 . O8 2_566 84.43(19)    yes
Om27 5_556 Fep23 . Om28 5_556 96.3(2)    yes
O7 5_556 Fep23 . Om28 5_556 96.3(2)    yes
Om27 4_556 Fep23 . Om28 5_556 96.88(18)    yes
O7 4_556 Fep23 . Om28 5_556 96.88(18)    yes
Om27 8_455 Fep23 . Om28 5_556 84.43(19)    yes
Om27 5_556 Fep23 . Fep22 8_555 136.58(17)    yes
O7 5_556 Fep23 . Fep22 8_555 136.58(17)    yes
Om27 4_556 Fep23 . Fep22 8_555 42.69(10)    yes
O7 4_556 Fep23 . Fep22 8_555 42.69(10)    yes
Om27 8_455 Fep23 . Fep22 8_555 138.59(11)    yes
Om27 5_556 Fep23 . Om27 . 83.3(2)    yes
O7 5_556 Fep23 . Om27 . 83.3(2)    yes
Om27 4_556 Fep23 . Om27 . 84.79(14)    yes
O7 4_556 Fep23 . Om27 . 84.79(14)    yes
Om27 8_455 Fep23 . Om27 . 93.89(14)    yes
Om27 5_556 Fep23 . O7 . 83.3(2)    yes
O7 5_556 Fep23 . O7 . 83.3(2)    yes
Om27 4_556 Fep23 . O7 . 84.79(14)    yes
O7 4_556 Fep23 . O7 . 84.79(14)    yes
Om27 8_455 Fep23 . O7 . 93.89(14)    yes
Om27 5_556 Fep23 . Om28 . 178.31(18)    yes
O7 5_556 Fep23 . Om28 . 178.31(18)    yes
Om27 4_556 Fep23 . Om28 . 84.43(19)    yes
O7 4_556 Fep23 . Om28 . 84.43(19)    yes
Om27 8_455 Fep23 . Om28 . 96.88(18)    yes
Om27 5_556 Fep23 . O8 . 178.31(18)    yes
O7 5_556 Fep23 . O8 . 178.31(18)    yes
Om27 4_556 Fep23 . O8 . 84.43(19)    yes
O7 4_556 Fep23 . O8 . 84.43(19)    yes
Om27 8_455 Fep23 . O8 . 96.88(18)    yes
O7 8_455 Fep23 . O8 2_566 84.43(19)    yes
O7 8_455 Fep23 . Om28 5_556 84.43(19)    yes
O7 8_455 Fep23 . Fep22 8_555 138.59(11)    yes
O8 2_566 Fep23 . Fep22 8_555 91.0(2)    yes
Om28 5_556 Fep23 . Fep22 8_555 91.0(2)    yes
O7 8_455 Fep23 . Om27 . 93.89(14)    yes
O8 2_566 Fep23 . Om27 . 178.31(18)    yes
Om28 5_556 Fep23 . Om27 . 178.31(18)    yes
Fep22 8_555 Fep23 . Om27 . 90.43(17)    yes
O7 8_455 Fep23 . O7 . 93.89(14)    yes
O8 2_566 Fep23 . O7 . 178.31(18)    yes
Om28 5_556 Fep23 . O7 . 178.31(18)    yes
Fep22 8_555 Fep23 . O7 . 90.43(17)    yes
O7 8_455 Fep23 . Om28 . 96.88(18)    yes
O8 2_566 Fep23 . Om28 . 84.1(3)    yes
Om28 5_556 Fep23 . Om28 . 84.1(3)    yes
Fep22 8_555 Fep23 . Om28 . 41.7(2)    yes
Om27 . Fep23 . Om28 . 96.3(2)    yes
O7 8_455 Fep23 . O8 . 96.88(18)    yes
O8 2_566 Fep23 . O8 . 84.1(3)    yes
Om28 5_556 Fep23 . O8 . 84.1(3)    yes
Fep22 8_555 Fep23 . O8 . 41.7(2)    yes
Om27 . Fep23 . O8 . 96.3(2)    yes
O7 . Fep23 . Om28 . 96.3(2)    yes
O7 . Fep23 . O8 . 96.3(2)    yes
Om25 8_455 Sip44 . Si4 8_555 110.89(14)    yes
O5 8_455 Sip44 . Si4 8_555 110.89(14)    yes
Om25 8_455 Sip44 . Sip44 8_555 110.89(14)    yes
O5 8_455 Sip44 . Sip44 8_555 110.89(14)    yes
Om25 8_455 Sip44 . Sip44 8_455 21.82(13)    yes
O5 8_455 Sip44 . Sip44 8_455 21.82(13)    yes
Si4 8_555 Sip44 . Sip44 8_455 119.98(8)    yes
Sip44 8_555 Sip44 . Sip44 8_455 119.98(8)    yes
Om25 8_455 Sip44 . Si4 8_455 21.82(13)    yes
O5 8_455 Sip44 . Si4 8_455 21.82(13)    yes
Si4 8_555 Sip44 . Si4 8_455 119.98(8)    yes
Sip44 8_555 Sip44 . Si4 8_455 119.98(8)    yes
Om25 8_455 Sip44 . Fep22 . 111.22(14)    yes
O5 8_455 Sip44 . Fep22 . 111.22(14)    yes
Si4 8_555 Sip44 . Fep22 . 117.98(3)    yes
Sip44 8_555 Sip44 . Fep22 . 117.98(3)    yes
Sip44 8_455 Sip44 . Fep22 . 90.02(3)    yes
Om25 8_455 Sip44 . Fep23 4_556 134.67(14)    yes
O5 8_455 Sip44 . Fep23 4_556 134.67(14)    yes
Si4 8_555 Sip44 . Fep23 4_556 62.33(3)    yes
Sip44 8_555 Sip44 . Fep23 4_556 62.33(3)    yes
Sip44 8_455 Sip44 . Fep23 4_556 118.37(4)    yes
Om25 8_455 Sip44 . Om25 . 108.39(14)    yes
O5 8_455 Sip44 . Om25 . 108.39(14)    yes
Si4 8_555 Sip44 . Om25 . 21.81(13)    yes
Sip44 8_555 Sip44 . Om25 . 21.81(13)    yes
Sip44 8_455 Sip44 . Om25 . 124.83(14)    yes
Om25 8_455 Sip44 . O5 . 108.39(14)    yes
O5 8_455 Sip44 . O5 . 108.39(14)    yes
Si4 8_555 Sip44 . O5 . 21.81(13)    yes
Sip44 8_555 Sip44 . O5 . 21.81(13)    yes
Sip44 8_455 Sip44 . O5 . 124.83(14)    yes
Om25 8_455 Sip44 . Om26 . 108.5(3)    yes
O5 8_455 Sip44 . Om26 . 108.5(3)    yes
Si4 8_555 Sip44 . Om26 . 124.9(2)    yes
Sip44 8_555 Sip44 . Om26 . 124.9(2)    yes
Sip44 8_455 Sip44 . Om26 . 111.0(2)    yes
Om25 8_455 Sip44 . O6 . 108.5(3)    yes
O5 8_455 Sip44 . O6 . 108.5(3)    yes
Si4 8_555 Sip44 . O6 . 124.9(2)    yes
Sip44 8_555 Sip44 . O6 . 124.9(2)    yes
Sip44 8_455 Sip44 . O6 . 111.0(2)    yes
Om25 8_455 Sip44 . Om27 . 110.1(3)    yes
O5 8_455 Sip44 . Om27 . 110.1(3)    yes
Si4 8_555 Sip44 . Om27 . 90.5(2)    yes
Sip44 8_555 Sip44 . Om27 . 90.5(2)    yes
Sip44 8_455 Sip44 . Om27 . 89.6(2)    yes
Om25 8_455 Sip44 . O7 . 110.1(3)    yes
O5 8_455 Sip44 . O7 . 110.1(3)    yes
Si4 8_555 Sip44 . O7 . 90.5(2)    yes
Sip44 8_555 Sip44 . O7 . 90.5(2)    yes
Sip44 8_455 Sip44 . O7 . 89.6(2)    yes
Si4 8_455 Sip44 . Fep22 . 90.02(3)    yes
Si4 8_455 Sip44 . Fep23 4_556 118.37(4)    yes
Fep22 . Sip44 . Fep23 4_556 55.66(2)    yes
Si4 8_455 Sip44 . Om25 . 124.83(14)    yes
Fep22 . Sip44 . Om25 . 134.15(14)    yes
Fep23 4_556 Sip44 . Om25 . 80.12(14)    yes
Si4 8_455 Sip44 . O5 . 124.83(14)    yes
Fep22 . Sip44 . O5 . 134.15(14)    yes
Fep23 4_556 Sip44 . O5 . 80.12(14)    yes
Si4 8_455 Sip44 . Om26 . 111.0(2)    yes
Fep22 . Sip44 . Om26 . 79.8(2)    yes
Fep23 4_556 Sip44 . Om26 . 110.5(2)    yes
Om25 . Sip44 . Om26 . 108.5(3)    yes
O5 . Sip44 . Om26 . 108.5(3)    yes
Si4 8_455 Sip44 . O6 . 111.0(2)    yes
Fep22 . Sip44 . O6 . 79.8(2)    yes
Fep23 4_556 Sip44 . O6 . 110.5(2)    yes
Om25 . Sip44 . O6 . 108.5(3)    yes
O5 . Sip44 . O6 . 108.5(3)    yes
Si4 8_455 Sip44 . Om27 . 89.6(2)    yes
Fep22 . Sip44 . Om27 . 32.45(15)    yes
Fep23 4_556 Sip44 . Om27 . 33.4(2)    yes
Om25 . Sip44 . Om27 . 111.1(3)    yes
O5 . Sip44 . Om27 . 111.1(3)    yes
Si4 8_455 Sip44 . O7 . 89.6(2)    yes
Fep22 . Sip44 . O7 . 32.45(15)    yes
Fep23 4_556 Sip44 . O7 . 33.4(2)    yes
Om25 . Sip44 . O7 . 111.1(3)    yes
O5 . Sip44 . O7 . 111.1(3)    yes
Om26 . Sip44 . Om27 . 110.2(2)    yes
O6 . Sip44 . Om27 . 110.2(2)    yes
Om26 . Sip44 . O7 . 110.2(2)    yes
O6 . Sip44 . O7 . 110.2(2)    yes
Om25 8_455 Si4 . Si4 8_555 110.89(14)    yes
O5 8_455 Si4 . Si4 8_555 110.89(14)    yes
Om25 8_455 Si4 . Sip44 8_555 110.89(14)    yes
O5 8_455 Si4 . Sip44 8_555 110.89(14)    yes
Om25 8_455 Si4 . Sip44 8_455 21.82(13)    yes
O5 8_455 Si4 . Sip44 8_455 21.82(13)    yes
Si4 8_555 Si4 . Sip44 8_455 119.98(8)    yes
Sip44 8_555 Si4 . Sip44 8_455 119.98(8)    yes
Om25 8_455 Si4 . Si4 8_455 21.82(13)    yes
O5 8_455 Si4 . Si4 8_455 21.82(13)    yes
Si4 8_555 Si4 . Si4 8_455 119.98(8)    yes
Sip44 8_555 Si4 . Si4 8_455 119.98(8)    yes
Om25 8_455 Si4 . Fep22 . 111.22(14)    yes
O5 8_455 Si4 . Fep22 . 111.22(14)    yes
Si4 8_555 Si4 . Fep22 . 117.98(3)    yes
Sip44 8_555 Si4 . Fep22 . 117.98(3)    yes
Sip44 8_455 Si4 . Fep22 . 90.02(3)    yes
Om25 8_455 Si4 . Fep23 4_556 134.67(14)    yes
O5 8_455 Si4 . Fep23 4_556 134.67(14)    yes
Si4 8_555 Si4 . Fep23 4_556 62.33(3)    yes
Sip44 8_555 Si4 . Fep23 4_556 62.33(3)    yes
Sip44 8_455 Si4 . Fep23 4_556 118.37(4)    yes
Om25 8_455 Si4 . Om25 . 108.39(14)    yes
O5 8_455 Si4 . Om25 . 108.39(14)    yes
Si4 8_555 Si4 . Om25 . 21.81(13)    yes
Sip44 8_555 Si4 . Om25 . 21.81(13)    yes
Sip44 8_455 Si4 . Om25 . 124.83(14)    yes
Om25 8_455 Si4 . O5 . 108.39(14)    yes
O5 8_455 Si4 . O5 . 108.39(14)    yes
Si4 8_555 Si4 . O5 . 21.81(13)    yes
Sip44 8_555 Si4 . O5 . 21.81(13)    yes
Sip44 8_455 Si4 . O5 . 124.83(14)    yes
Om25 8_455 Si4 . Om26 . 108.5(3)    yes
O5 8_455 Si4 . Om26 . 108.5(3)    yes
Si4 8_555 Si4 . Om26 . 124.9(2)    yes
Sip44 8_555 Si4 . Om26 . 124.9(2)    yes
Sip44 8_455 Si4 . Om26 . 111.0(2)    yes
Om25 8_455 Si4 . O6 . 108.5(3)    yes
O5 8_455 Si4 . O6 . 108.5(3)    yes
Si4 8_555 Si4 . O6 . 124.9(2)    yes
Sip44 8_555 Si4 . O6 . 124.9(2)    yes
Sip44 8_455 Si4 . O6 . 111.0(2)    yes
Om25 8_455 Si4 . Om27 . 110.1(3)    yes
O5 8_455 Si4 . Om27 . 110.1(3)    yes
Si4 8_555 Si4 . Om27 . 90.5(2)    yes
Sip44 8_555 Si4 . Om27 . 90.5(2)    yes
Sip44 8_455 Si4 . Om27 . 89.6(2)    yes
Om25 8_455 Si4 . O7 . 110.1(3)    yes
O5 8_455 Si4 . O7 . 110.1(3)    yes
Si4 8_555 Si4 . O7 . 90.5(2)    yes
Sip44 8_555 Si4 . O7 . 90.5(2)    yes
Sip44 8_455 Si4 . O7 . 89.6(2)    yes
Si4 8_455 Si4 . Fep22 . 90.02(3)    yes
Si4 8_455 Si4 . Fep23 4_556 118.37(4)    yes
Fep22 . Si4 . Fep23 4_556 55.66(2)    yes
Si4 8_455 Si4 . Om25 . 124.83(14)    yes
Fep22 . Si4 . Om25 . 134.15(14)    yes
Fep23 4_556 Si4 . Om25 . 80.12(14)    yes
Si4 8_455 Si4 . O5 . 124.83(14)    yes
Fep22 . Si4 . O5 . 134.15(14)    yes
Fep23 4_556 Si4 . O5 . 80.12(14)    yes
Si4 8_455 Si4 . Om26 . 111.0(2)    yes
Fep22 . Si4 . Om26 . 79.8(2)    yes
Fep23 4_556 Si4 . Om26 . 110.5(2)    yes
Om25 . Si4 . Om26 . 108.5(3)    yes
O5 . Si4 . Om26 . 108.5(3)    yes
Si4 8_455 Si4 . O6 . 111.0(2)    yes
Fep22 . Si4 . O6 . 79.8(2)    yes
Fep23 4_556 Si4 . O6 . 110.5(2)    yes
Om25 . Si4 . O6 . 108.5(3)    yes
O5 . Si4 . O6 . 108.5(3)    yes
Si4 8_455 Si4 . Om27 . 89.6(2)    yes
Fep22 . Si4 . Om27 . 32.45(15)    yes
Fep23 4_556 Si4 . Om27 . 33.4(2)    yes
Om25 . Si4 . Om27 . 111.1(3)    yes
O5 . Si4 . Om27 . 111.1(3)    yes
Si4 8_455 Si4 . O7 . 89.6(2)    yes
Fep22 . Si4 . O7 . 32.45(15)    yes
Fep23 4_556 Si4 . O7 . 33.4(2)    yes
Om25 . Si4 . O7 . 111.1(3)    yes
O5 . Si4 . O7 . 111.1(3)    yes
Om26 . Si4 . Om27 . 110.2(2)    yes
O6 . Si4 . Om27 . 110.2(2)    yes
Om26 . Si4 . O7 . 110.2(2)    yes
O6 . Si4 . O7 . 110.2(2)    yes
Sip44 . Om25 . Sip44 8_555 136.4(2)    yes
Si4 . Om25 . Sip44 8_555 136.4(2)    yes
Sip44 . Om25 . Si4 8_555 136.4(2)    yes
Si4 . Om25 . Si4 8_555 136.4(2)    yes
Sip44 . O5 . Sip44 8_555 136.4(2)    yes
Si4 . O5 . Sip44 8_555 136.4(2)    yes
Sip44 . O5 . Si4 8_555 136.4(2)    yes
Si4 . O5 . Si4 8_555 136.4(2)    yes
Sip44 . Om26 . Sip44 6_555 136.6(4)    yes
Sip44 6_555 Om26 . Si4 . 136.6(4)    yes
Sip44 . Om26 . Si4 6_555 136.6(4)    yes
Si4 . Om26 . Si4 6_555 136.6(4)    yes
Sip44 . O6 . Sip44 6_555 136.6(4)    yes
Sip44 6_555 O6 . Si4 . 136.6(4)    yes
Sip44 . O6 . Si4 6_555 136.6(4)    yes
Si4 . O6 . Si4 6_555 136.6(4)    yes
Fep23 . Om27 . Fep23 4_556 95.21(14)    yes
Fep23 . Om27 . Mgp22 . 95.90(19)    yes
Fep23 4_556 Om27 . Mgp22 . 93.97(15)    yes
Fep23 . Om27 . Fep22 . 95.90(19)    yes
Fep23 4_556 Om27 . Fep22 . 93.97(15)    yes
Fep23 . Om27 . Mgp23 4_556 95.21(14)    yes
Mgp22 . Om27 . Mgp23 4_556 93.97(15)    yes
Fep22 . Om27 . Mgp23 4_556 93.97(15)    yes
Fep23 4_556 Om27 . Mgp23 . 95.21(14)    yes
Mgp22 . Om27 . Mgp23 . 95.90(19)    yes
Fep22 . Om27 . Mgp23 . 95.90(19)    yes
Mgp23 4_556 Om27 . Mgp23 . 95.21(14)    yes
Fep23 . Om27 . Sip44 . 121.6(2)    yes
Fep23 4_556 Om27 . Sip44 . 121.0(3)    yes
Mgp22 . Om27 . Sip44 . 122.3(2)    yes
Fep22 . Om27 . Sip44 . 122.3(2)    yes
Mgp23 4_556 Om27 . Sip44 . 121.0(3)    yes
Fep23 . Om27 . Si4 . 121.6(2)    yes
Fep23 4_556 Om27 . Si4 . 121.0(3)    yes
Mgp22 . Om27 . Si4 . 122.3(2)    yes
Fep22 . Om27 . Si4 . 122.3(2)    yes
Mgp23 4_556 Om27 . Si4 . 121.0(3)    yes
Mgp23 . Om27 . Sip44 . 121.6(2)    yes
Mgp23 . Om27 . Si4 . 121.6(2)    yes
Fep23 . O7 . Fep23 4_556 95.21(14)    yes
Fep23 . O7 . Mgp22 . 95.90(19)    yes
Fep23 4_556 O7 . Mgp22 . 93.97(15)    yes
Fep23 . O7 . Fep22 . 95.90(19)    yes
Fep23 4_556 O7 . Fep22 . 93.97(15)    yes
Fep23 . O7 . Mgp23 4_556 95.21(14)    yes
Mgp22 . O7 . Mgp23 4_556 93.97(15)    yes
Fep22 . O7 . Mgp23 4_556 93.97(15)    yes
Fep23 4_556 O7 . Mgp23 . 95.21(14)    yes
Mgp22 . O7 . Mgp23 . 95.90(19)    yes
Fep22 . O7 . Mgp23 . 95.90(19)    yes
Mgp23 4_556 O7 . Mgp23 . 95.21(14)    yes
Fep23 . O7 . Sip44 . 121.6(2)    yes
Fep23 4_556 O7 . Sip44 . 121.0(3)    yes
Mgp22 . O7 . Sip44 . 122.3(2)    yes
Fep22 . O7 . Sip44 . 122.3(2)    yes
Mgp23 4_556 O7 . Sip44 . 121.0(3)    yes
Fep23 . O7 . Si4 . 121.6(2)    yes
Fep23 4_556 O7 . Si4 . 121.0(3)    yes
Mgp22 . O7 . Si4 . 122.3(2)    yes
Fep22 . O7 . Si4 . 122.3(2)    yes
Mgp23 4_556 O7 . Si4 . 121.0(3)    yes
Mgp23 . O7 . Sip44 . 121.6(2)    yes
Mgp23 . O7 . Si4 . 121.6(2)    yes
Mgp23 2_566 Om28 . Mgp23 . 95.9(3)    yes
Mgp23 2_566 Om28 . Mgp22 3_555 97.25(18)    yes
Mgp23 . Om28 . Mgp22 3_555 97.25(18)    yes
Mgp23 2_566 Om28 . Fep22 3_555 97.25(18)    yes
Mgp23 . Om28 . Fep22 3_555 97.25(18)    yes
Mgp23 2_566 Om28 . Fep23 . 95.9(3)    yes
Mgp22 3_555 Om28 . Fep23 . 97.25(18)    yes
Fep22 3_555 Om28 . Fep23 . 97.25(18)    yes
Mgp23 2_566 O8 . Mgp23 . 95.9(3)    yes
Mgp23 2_566 O8 . Mgp22 3_555 97.25(18)    yes
Mgp23 . O8 . Mgp22 3_555 97.25(18)    yes
Mgp23 2_566 O8 . Fep22 3_555 97.25(18)    yes
Mgp23 . O8 . Fep22 3_555 97.25(18)    yes
Mgp23 2_566 O8 . Fep23 . 95.9(3)    yes
Mgp22 3_555 O8 . Fep23 . 97.25(18)    yes
Fep22 3_555 O8 . Fep23 . 97.25(18)    yes


_iucr_refine_instruction_details_constraints
;
#
# Punched on 16/10/12 at 12:07:09
#
#LIST     12                                                                    
FIX KP1(1,X'S) 
FULL 
CONT ELEMENT SCALES 
CONT  KP1(1,OCC) UNTIL LAST 
CONT KP1(1,U[11],U[22], U[33], U[13]) 
RIDE OM2(6,X,Z) O(6,X,Z) 
RIDE OM2(8,X,Z) O(8,X,Z) 
RIDE SIP4(4,X'S,U'S) SI(4,X'S,U'S) 
RIDE OM2(5,X'S,U'S) O(5,X'S,U'S) 
RIDE OM2(7,X'S,U'S) O(7,X'S,U'S) 
RIDE MGP2(2,U[11]) FEP2(2,U[11]) 
RIDE MGP2(2,U[22]) FEP2(2,U[22]) 
RIDE MGP2(2,U[33]) FEP2(2,U[33]) 
RIDE MGP2(2,U[13]) FEP2(2,U[13]) 
RIDE MGP2(3,U[11]) FEP2(3,U[11]) 
RIDE MGP2(3,U[22]) FEP2(3,U[22]) 
RIDE MGP2(3,U[33]) FEP2(3,U[33]) 
RIDE MGP2(3,U[13]) FEP2(3,U[13]) 
RIDE OM2(8,U[11]) O(8,U[11]) 
RIDE OM2(8,U[22]) O(8,U[22]) 
RIDE OM2(8,U[33]) O(8,U[33]) 
RIDE OM2(8,U[13]) O(8,U[13]) 
RIDE OM2(6,U[11]) O(6,U[11]) 
RIDE OM2(6,U[22]) O(6,U[22]) 
RIDE OM2(6,U[33]) O(6,U[33]) 
RIDE OM2(6,U[13]) O(6,U[13]) 
RIDE MGP2(3,Y) FEP2(3,Y) 
END                                                                             
;


_iucr_refine_instruction_details_restraints
;
#
# Punched on 16/10/12 at 12:07:09
#
#LIST     16                                                                    
REST .25,.02 = KP1(1,OCC) 
RESTR .25, .001 =  MGP2(2,OCC)+ FEP2(2,OCC) 
RESTR .50,.001 = MGP2(3,OCC)+FEP2(3,OCC) 
RESTR 1.0, .01 = SIP4(4,OCC)+SI(4,OCC) 
REST 1.0, .001 = OM2(5,OCC)+O(5,OCC) 
REST 0.5, .001 = OM2(6, OCC)+O(6,OCC) 
REST 1.0, .001 = OM2(7,OCC)+O(7,OCC) 
REST 0.5, .001 = OM2(8,OCC)+O(8,OCC) 
RESTR 0.0019, .0001 = MGP23U[13] 
SUM ELEMENT SCALES 
LIMIT  0.001 OCC 
END                                                                             
;

