#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011186.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_1011186
_chemical_name_systematic          'Potassium chromate'
_chemical_name_mineral             'Tarapacaite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'K2 (Cr O4)'
_chemical_formula_sum              'Cr K2 O4'
_publ_section_title
;
The crystal structure of potassium chromate K2 Cr O4
;
loop_
_publ_author_name
  'Zachariasen, W H'
  'Ziegler, G E'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    80
_journal_year                      1931
_journal_page_first                164
_journal_page_last                 173
_cell_length_a                     5.92
_cell_length_b                     10.4
_cell_length_c                     7.61
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       468.5
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.74
_symmetry_space_group_name_H-M     'P m c n'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Cr6+   6.000
  O2-   -2.000
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
  K1    K1+    4 c 0.25 0.083 0.355 1.  0 d
  K2    K1+    4 c 0.25 -0.306 0.5 1.  0 d
  Cr1   Cr6+   4 c 0.25 0.083 -0.231 1.  0 d
  O1    O2-    4 c 0.25 0.083 -0.019 1.  0 d
  O2    O2-    4 c 0.25 -0.061 -0.3 1.  0 d
  O3    O2-    8 d 0.028 0.156 -0.3 1.  0 d
_cod_database_code 1011186