#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000160.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1000160
_chemical_name_systematic          'Chromium manganese fluoride'
_chemical_formula_structural       'MN CR F5'
_chemical_formula_sum              'Cr F5 Mn'
_publ_section_title
;
Structure cristalline du fluorure antiferromagnetique Mn Cr F~5~
;
loop_
_publ_author_name
  'Ferey, G'
  'de=Pape, R'
  'Boucher, B'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                1084
_journal_page_last                 1091
_cell_length_a                     8.856(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                       371.3
_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
  Cr3+   3.000
  Mn2+   2.000
  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
  Cr1   Cr3+   4 a 0. 0. 0. 1.  0 d
  Mn1   Mn2+   4 e 0. 0.4993(77) 0.25 1.  0 d
  F1    F1-    4 e 0. 0.8943(76) 0.25 1.  0 d
  F2    F1-    8 f 0.0305(30) 0.7102(34) 0.9707(47) 1.  0 d
  F3    F1-    8 f 0.2466(22) 0.0387(54) 0.1030(62) 1.  0 d