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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/4/12/46/4124650.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_4124650
loop_
_publ_author_name
'Helmholz, L.'
'Foster, W.R.'
_publ_section_title
;
 The crystal structure of potassium chlorochromate, K Cr O3 Cl
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4971
_journal_page_last               4974
_journal_volume                  72
_journal_year                    1950
_chemical_formula_sum            'Cl Cr K O3'
_chemical_name_systematic        'K (Cr O3 Cl)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.79
_cell_length_b                   7.5
_cell_length_c                   7.8
_cell_volume                     455.592
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Helmholz_JACSAT_1950_1439.cif
_cod_data_source_block           Cl1Cr1K1O3
_cod_original_cell_volume        455.5922
_cod_original_formula_sum        'Cl1 Cr1 K1 O3'
_cod_database_code               4124650
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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 0.22 0.127 0.117 1 0.0
Cl1 Cl-1 0.455 0.28 0.133 1 0.0
O2 O-2 0.211 0.005 0.275 1 0.0
O1 O-2 0.228 0.005 -0.032 1 0.0
K1 K+1 0.2 0.63 0.13 1 0.0
O3 O-2 0.06 0.245 0.11 1 0.0
