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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520962.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_1520962
loop_
_publ_author_name
'Edwards, C.M.'
'Haines, J.'
'Butler, I.S.'
'Leger, J.M.'
_publ_section_title
;
 High pressure X-ray diffraction study of potassium chromate:
 pressure-induced orientational disorder and its implications for
 amorphization in A2 B X4 compounds
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              529
_journal_page_last               538
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Cr K2 O4'
_chemical_name_systematic        'K2 (Cr O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.38
_cell_length_b                   9.83
_cell_length_c                   5.509
_cell_volume                     399.653
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Edwards_JPCSAW_1999_227.cif
_cod_data_source_block           Cr1K2O4
_cod_original_cell_volume        399.6526
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cr1 K2 O4'
_cod_database_code               1520962
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cr1 Cr+6 0.2391 0.4241 0.25 1 0.0
O3 O-2 0.311 0.359 0.505 1 0.0
K1 K+1 0.6658 0.3901 0.25 1 0.0
O1 O-2 0.0173 0.432 0.25 1 0.0
O2 O-2 0.308 0.5827 0.25 1 0.0
K2 K+1 -0.021 0.6877 0.25 1 0.0
