data_1000158
_chemical_name_systematic          'MANGANESE CATENA-PENTAFLUOROCHROMATE(III)'
_chemical_formula_structural       'CR MN F5'
_chemical_formula_sum              'Cr F5 Mn'
_publ_section_title                'La structure cristalline de Mn Cr F~5~'
loop_
_publ_author_name
  'Ferey, G'
  'de=Pape, R'
  'Poulain, M'
  'Grandjean, D'
  'Hardy, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                1409
_journal_page_last                 1413
_cell_length_a                     8.586(5)
_cell_length_b                     6.291(3)
_cell_length_c                     7.381(4)
_cell_angle_alpha                  90
_cell_angle_beta                   115.46(7)
_cell_angle_gamma                  90
_cell_volume                       360.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn2+   2.000
  Cr3+   3.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mn1   Mn2+   4 e 0. 0.5333(2) 0.25 1.  0 d
  Cr1   Cr3+   4 a 0. 0. 0. 1.  0 d
  F1    F1-    4 e 0. 0.9203(9) 0.25 1.  0 d
  F2    F1-    8 f 0.0155(4) 0.7025(6) 0.9666(4) 1.  0 d
  F3    F1-    8 f 0.7603(4) 0.9670(9) 0.8765(4) 1.  0 d
_refine_ls_R_factor_all            0.062