data_1000420
_chemical_name_systematic          'Chromium(II) chromium fluoride'
_chemical_formula_structural       'Cr2 F5'
_chemical_formula_sum              'Cr2 F5'
_publ_section_title                'The magnetic structure of Cr2 F5'
loop_
_publ_author_name
  'Lacorre, P'
  'Ferey, G'
  'Pannetier, J'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    96
_journal_year                      1992
_journal_page_first                227
_journal_page_last                 236
_cell_length_a                     7.7526(1)
_cell_length_b                     7.5228(1)
_cell_length_c                     7.4477(1)
_cell_angle_alpha                  90
_cell_angle_beta                   124.081(1)
_cell_angle_gamma                  90
_cell_volume                       359.8
_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
  Cr2+   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
  Cr2   Cr2+   4 b 0. 0.5 0. 1.  0 d
  F1    F1-    4 e 0. 0.0530(3) 0.25 1.  0 d
  F2    F1-    8 f 0.2967(3) 0.9773(2) 0.1759(3) 1.  0 d
  F3    F1-    8 f 0.0235(3) 0.2454(3) 0.9667(3) 1.  0 d
_refine_ls_R_factor_all            0.047