#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010001.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_1010001
_chemical_name_systematic          'Potassium fluorochromate'
_chemical_formula_structural       'K Cr O3 F'
_chemical_formula_sum              'Cr F K O3'
_publ_section_title
;
Die Krystallstruktur des Kaliumfluorochromats
;
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_[local]_cod_cif_authors_sg_H-M  'I 41/a S'
loop_
_publ_author_name
  'Ketelaar, J A A'
  'Wegerif, E'
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_coden_ASTM                RTCPA3
_journal_volume                    57
_journal_year                      1938
_journal_page_first                1269
_journal_page_last                 1275
_cell_length_a                     5.46(1)
_cell_length_b                     5.46(1)
_cell_length_c                     12.89(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       384.3
_cell_formula_units_Z              4
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,1/2+y,1/4-z'
  '-x,1/2-y,1/4-z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,1/2+x,1/4+z'
  'y,1/2-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,y,3/4-z'
  '1/2-x,-y,3/4-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,x,3/4+z'
  '1/2+y,-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr6+   6.000
  K1+    1.000
  O2-   -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   Cr6+   4 a 0. 0. 0. 1.  0 d
  K1    K1+    4 b 0. 0. 0.5 1.  0 d
  O1    O2-   16 f 0.210(5) 0.090(5) 0.075(5) 0.75  0 d
  F1    F1-   16 f 0.210(5) 0.090(5) 0.075(5) 0.25  0 d