# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2015


#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 23/03/2015'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

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

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

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

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

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

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 'Co2.581 F6 Mn0.419 O6 Sb4'
_chemical_formula_structural             'Co2.581 F6 Mn0.419 O6 Sb4'
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Co2.581 F6 Mn0.419 O6 Sb4'
_chemical_formula_weight                 872.1
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

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

# 6. CRYSTAL DATA

_symmetry_cell_setting                   cubic
_symmetry_space_group_name_H-M           'I -4 3 m'
_symmetry_space_group_name_Hall          'I -4 2 3'
_symmetry_Int_Tables_number              217

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,z
 3   -x,y,-z
 4   x,-y,-z
 5   z,x,y
 6   z,-x,-y
 7   -z,-x,y
 8   -z,x,-y
 9   y,z,x
 10  -y,z,-x
 11  y,-z,-x
 12  -y,-z,x
 13  y,x,z
 14  -y,-x,z
 15  y,-x,-z
 16  -y,x,-z
 17  x,z,y
 18  -x,z,-y
 19  -x,-z,y
 20  x,-z,-y
 21  z,y,x
 22  z,-y,-x
 23  -z,y,-x
 24  -z,-y,x
 25  x+1/2,y+1/2,z+1/2
 26  -x+1/2,-y+1/2,z+1/2
 27  -x+1/2,y+1/2,-z+1/2
 28  x+1/2,-y+1/2,-z+1/2
 29  z+1/2,x+1/2,y+1/2
 30  z+1/2,-x+1/2,-y+1/2
 31  -z+1/2,-x+1/2,y+1/2
 32  -z+1/2,x+1/2,-y+1/2
 33  y+1/2,z+1/2,x+1/2
 34  -y+1/2,z+1/2,-x+1/2
 35  y+1/2,-z+1/2,-x+1/2
 36  -y+1/2,-z+1/2,x+1/2
 37  y+1/2,x+1/2,z+1/2
 38  -y+1/2,-x+1/2,z+1/2
 39  y+1/2,-x+1/2,-z+1/2
 40  -y+1/2,x+1/2,-z+1/2
 41  x+1/2,z+1/2,y+1/2
 42  -x+1/2,z+1/2,-y+1/2
 43  -x+1/2,-z+1/2,y+1/2
 44  x+1/2,-z+1/2,-y+1/2
 45  z+1/2,y+1/2,x+1/2
 46  z+1/2,-y+1/2,-x+1/2
 47  -z+1/2,y+1/2,-x+1/2
 48  -z+1/2,-y+1/2,x+1/2

_cell_length_a                           8.18090(10)
_cell_length_b                           8.18090(10)
_cell_length_c                           8.18090(10)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             547.524(12)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    2

_cell_measurement_reflns_used            ?
_cell_measurement_theta_min              ?
_cell_measurement_theta_max              ?
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            5.2899
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     772

_exptl_absorpt_coefficient_mu            14.1
_exptl_crystal_description               Cubic-shaped
_exptl_crystal_size_max                  0.5
_exptl_crystal_size_mid                  0.5
_exptl_crystal_size_min                  0.5
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    Pink
_exptl_absorpt_correction_type           'Multi-scan'
_exptl_absorpt_process_details           'Numerical absorption correction' 
_exptl_absorpt_correction_T_min          0.5855
_exptl_absorpt_correction_T_max          0.7513
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

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

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71069
_diffrn_radiation_monochromator          ?
_diffrn_measurement_device               'κ-geometry diffractometer' 
_diffrn_measurement_device_type          ?
_diffrn_detector                         'Photon100'
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               ?
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    5268
_diffrn_reflns_theta_min                 3.52
_diffrn_reflns_theta_max                 57.62
_diffrn_reflns_theta_full                57.62
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.0242
_diffrn_reflns_av_unetI/netI             0.0143
_diffrn_reflns_limit_h_min               -8
_diffrn_reflns_limit_h_max               14
_diffrn_reflns_limit_k_min               -13
_diffrn_reflns_limit_k_max               18
_diffrn_reflns_limit_l_min               -19
_diffrn_reflns_limit_l_max               19
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

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

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     759
_reflns_number_gt                        750
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         F
_refine_ls_R_factor_gt                   0.0228
_refine_ls_wR_factor_gt                  0.0293
_refine_ls_R_factor_all                  0.0232
_refine_ls_wR_factor_ref                 0.0294
_refine_ls_goodness_of_fit_ref           1.98
_refine_ls_goodness_of_fit_gt            1.99
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 759
_refine_ls_number_parameters             13
_refine_ls_number_restraints             0
_refine_ls_number_constraints            3
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(F)+0.0001F²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0006
_refine_ls_shift/su_mean                 0.0001
_refine_diff_density_max                 1.83
_refine_diff_density_min                 -1.22
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details
;  337 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Co   0.3494  0.9721
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 F    0.0171  0.0103
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Mn   0.3368  0.7283
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Sb  -0.5866  1.5461
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


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

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Sb Sb 0.840614(13) 0.159386(13) 0.159386(13) Uani 0.00932(2) 8 1 d . . .
  Co Co 0.5 0 0 Uani 0.00647(6) 6 0.86(4) d . . .
  F F 0.5 0 0.25 Uani 0.0290(6) 12 1 d . . .
  O O 0.7532(3) 0 0 Uani 0.0134(3) 12 1 d . . .
  Mn Mn 0.5 0 0 Uani 0.00647(6) 6 0.14(4) d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


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

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Sb Co . . 3.34143(12) ?
  Sb Co . 5_655 3.34143(12) ?
  Sb Co . 9_655 3.34143(12) ?
  Sb O . . 1.9780(8) ?
  Sb O . 6_665 1.9780(8) ?
  Sb O . 10_656 1.9780(8) ?
  Sb Mn . . 3.34143(12) ?
  Sb Mn . 5_655 3.34143(12) ?
  Sb Mn . 9_655 3.34143(12) ?
  Co F . . 2.04522(5) ?
  Co F . 3_655 2.04522(5) ?
  Co F . 33_544 2.04522(5) ?
  Co F . 35_555 2.04522(5) ?
  Co O . . 2.071(2) ?
  Co O . 2_655 2.071(2) ?
  Co Mn . . 0 ?
  F Mn . . 2.04522(5) ?
  F Mn . 29_545 2.04522(5) ?
  O Mn . . 2.071(2) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  Co Sb Co . . 5_655 119.905(3) ?
  Co Sb Co . . 9_655 119.905(3) ?
  Co Sb O . . . 35.30(6) ?
  Co Sb O . . 6_665 115.700(17) ?
  Co Sb O . . 10_656 115.700(17) ?
  Co Sb Mn . . . 0.0(5) ?
  Co Sb Mn . . 5_655 119.905(3) ?
  Co Sb Mn . . 9_655 119.905(3) ?
  Co Sb Co 5_655 . 9_655 119.905(3) ?
  Co Sb O 5_655 . . 115.700(17) ?
  Co Sb O 5_655 . 6_665 35.30(6) ?
  Co Sb O 5_655 . 10_656 115.700(17) ?
  Co Sb Mn 5_655 . . 119.905(3) ?
  Co Sb Mn 5_655 . 5_655 0.0(5) ?
  Co Sb Mn 5_655 . 9_655 119.905(3) ?
  Co Sb O 9_655 . . 115.700(17) ?
  Co Sb O 9_655 . 6_665 115.700(17) ?
  Co Sb O 9_655 . 10_656 35.30(6) ?
  Co Sb Mn 9_655 . . 119.905(3) ?
  Co Sb Mn 9_655 . 5_655 119.905(3) ?
  Co Sb Mn 9_655 . 9_655 0.0(5) ?
  O Sb O . . 6_665 92.43(6) ?
  O Sb O . . 10_656 92.43(6) ?
  O Sb Mn . . . 35.30(6) ?
  O Sb Mn . . 5_655 115.700(17) ?
  O Sb Mn . . 9_655 115.700(17) ?
  O Sb O 6_665 . 10_656 92.43(6) ?
  O Sb Mn 6_665 . . 115.700(17) ?
  O Sb Mn 6_665 . 5_655 35.30(6) ?
  O Sb Mn 6_665 . 9_655 115.700(17) ?
  O Sb Mn 10_656 . . 115.700(17) ?
  O Sb Mn 10_656 . 5_655 115.700(17) ?
  O Sb Mn 10_656 . 9_655 35.30(6) ?
  Mn Sb Mn . . 5_655 119.905(3) ?
  Mn Sb Mn . . 9_655 119.905(3) ?
  Mn Sb Mn 5_655 . 9_655 119.905(3) ?
  Sb Co Sb . . 2_655 134.063(3) ?
  Sb Co Sb . . 3_655 134.063(3) ?
  Sb Co Sb . . 4_555 66.990(3) ?
  Sb Co F . . . 67.0313(19) ?
  Sb Co F . . 3_655 112.9687(19) ?
  Sb Co F . . 33_544 112.9687(19) ?
  Sb Co F . . 35_555 67.0313(19) ?
  Sb Co O . . . 33.4951(19) ?
  Sb Co O . . 2_655 146.5049(19) ?
  Sb Co Mn . . . 0 ?
  Sb Co Sb 2_655 . 3_655 66.990(3) ?
  Sb Co Sb 2_655 . 4_555 134.063(3) ?
  Sb Co F 2_655 . . 67.0313(19) ?
  Sb Co F 2_655 . 3_655 112.9687(19) ?
  Sb Co F 2_655 . 33_544 67.0313(19) ?
  Sb Co F 2_655 . 35_555 112.9687(19) ?
  Sb Co O 2_655 . . 146.5049(19) ?
  Sb Co O 2_655 . 2_655 33.4951(19) ?
  Sb Co Mn 2_655 . . 0 ?
  Sb Co Sb 3_655 . 4_555 134.063(3) ?
  Sb Co F 3_655 . . 112.9687(19) ?
  Sb Co F 3_655 . 3_655 67.0313(19) ?
  Sb Co F 3_655 . 33_544 112.9687(19) ?
  Sb Co F 3_655 . 35_555 67.0313(19) ?
  Sb Co O 3_655 . . 146.5049(19) ?
  Sb Co O 3_655 . 2_655 33.4951(19) ?
  Sb Co Mn 3_655 . . 0 ?
  Sb Co F 4_555 . . 112.9687(19) ?
  Sb Co F 4_555 . 3_655 67.0313(19) ?
  Sb Co F 4_555 . 33_544 67.0313(19) ?
  Sb Co F 4_555 . 35_555 112.9687(19) ?
  Sb Co O 4_555 . . 33.4951(19) ?
  Sb Co O 4_555 . 2_655 146.5049(19) ?
  Sb Co Mn 4_555 . . 0 ?
  F Co F . . 3_655 180.0(5) ?
  F Co F . . 33_544 90 ?
  F Co F . . 35_555 90 ?
  F Co O . . . 90 ?
  F Co O . . 2_655 90 ?
  F Co Mn . . . 0 ?
  F Co F 3_655 . 33_544 90 ?
  F Co F 3_655 . 35_555 90 ?
  F Co O 3_655 . . 90 ?
  F Co O 3_655 . 2_655 90 ?
  F Co Mn 3_655 . . 0 ?
  F Co F 33_544 . 35_555 180.0(5) ?
  F Co O 33_544 . . 90 ?
  F Co O 33_544 . 2_655 90 ?
  F Co Mn 33_544 . . 0 ?
  F Co O 35_555 . . 90 ?
  F Co O 35_555 . 2_655 90 ?
  F Co Mn 35_555 . . 0 ?
  O Co O . . 2_655 180.0(5) ?
  O Co Mn . . . 0 ?
  O Co Mn 2_655 . . 0 ?
  Co F Co . . 29_545 180.0(5) ?
  Co F Mn . . . 0.0(5) ?
  Co F Mn . . 29_545 180.0(5) ?
  Co F Mn 29_545 . . 180.0(5) ?
  Co F Mn 29_545 . 29_545 0.0(5) ?
  Mn F Mn . . 29_545 180.0(5) ?
  Sb O Sb . . 4_555 137.59(12) ?
  Sb O Co . . . 111.21(6) ?
  Sb O Mn . . . 111.21(6) ?
  Sb O Co 4_555 . . 111.21(6) ?
  Sb O Mn 4_555 . . 111.21(6) ?
  Co O Mn . . . 0.0(5) ?
  Sb Mn Sb . . 2_655 134.063(3) ?
  Sb Mn Sb . . 3_655 134.063(3) ?
  Sb Mn Sb . . 4_555 66.990(3) ?
  Sb Mn Co . . . 0 ?
  Sb Mn F . . . 67.0313(19) ?
  Sb Mn F . . 3_655 112.9687(19) ?
  Sb Mn F . . 33_544 112.9687(19) ?
  Sb Mn F . . 35_555 67.0313(19) ?
  Sb Mn O . . . 33.4951(19) ?
  Sb Mn O . . 2_655 146.5049(19) ?
  Sb Mn Sb 2_655 . 3_655 66.990(3) ?
  Sb Mn Sb 2_655 . 4_555 134.063(3) ?
  Sb Mn Co 2_655 . . 0 ?
  Sb Mn F 2_655 . . 67.0313(19) ?
  Sb Mn F 2_655 . 3_655 112.9687(19) ?
  Sb Mn F 2_655 . 33_544 67.0313(19) ?
  Sb Mn F 2_655 . 35_555 112.9687(19) ?
  Sb Mn O 2_655 . . 146.5049(19) ?
  Sb Mn O 2_655 . 2_655 33.4951(19) ?
  Sb Mn Sb 3_655 . 4_555 134.063(3) ?
  Sb Mn Co 3_655 . . 0 ?
  Sb Mn F 3_655 . . 112.9687(19) ?
  Sb Mn F 3_655 . 3_655 67.0313(19) ?
  Sb Mn F 3_655 . 33_544 112.9687(19) ?
  Sb Mn F 3_655 . 35_555 67.0313(19) ?
  Sb Mn O 3_655 . . 146.5049(19) ?
  Sb Mn O 3_655 . 2_655 33.4951(19) ?
  Sb Mn Co 4_555 . . 0 ?
  Sb Mn F 4_555 . . 112.9687(19) ?
  Sb Mn F 4_555 . 3_655 67.0313(19) ?
  Sb Mn F 4_555 . 33_544 67.0313(19) ?
  Sb Mn F 4_555 . 35_555 112.9687(19) ?
  Sb Mn O 4_555 . . 33.4951(19) ?
  Sb Mn O 4_555 . 2_655 146.5049(19) ?
  Co Mn F . . . 0 ?
  Co Mn F . . 3_655 0 ?
  Co Mn F . . 33_544 0 ?
  Co Mn F . . 35_555 0 ?
  Co Mn O . . . 0 ?
  Co Mn O . . 2_655 0 ?
  F Mn F . . 3_655 180.0(5) ?
  F Mn F . . 33_544 90 ?
  F Mn F . . 35_555 90 ?
  F Mn O . . . 90 ?
  F Mn O . . 2_655 90 ?
  F Mn F 3_655 . 33_544 90 ?
  F Mn F 3_655 . 35_555 90 ?
  F Mn O 3_655 . . 90 ?
  F Mn O 3_655 . 2_655 90 ?
  F Mn F 33_544 . 35_555 180.0(5) ?
  F Mn O 33_544 . . 90 ?
  F Mn O 33_544 . 2_655 90 ?
  F Mn O 35_555 . . 90 ?
  F Mn O 35_555 . 2_655 90 ?
  O Mn O . . 2_655 180.0(5) ?

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_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


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

# 11. STRUCTURE-FACTOR LIST



