#------------------------------------------------------------------------------
#$Date: 2016-01-26 12:49:15 +0100 (mar 26 de ene de 2016) $
#$Revision: 175087 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010443.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_1010443
loop_
_publ_author_name
'Miller, J. J.'
_publ_section_title
;
 The Crystal Structure of Caesium Chromate Cs₂CrO₄
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift für Kristallographie - Crystalline Materials
;
_journal_page_first              32
_journal_page_last               37
_journal_paper_doi               10.1524/zkri.1938.99.1.32
_journal_volume                  99
_journal_year                    1938
_chemical_formula_structural     'Cs2 Cr O4'
_chemical_formula_sum            'Cr Cs2 O4'
_chemical_name_systematic        'Caesium chromate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.226
_cell_length_b                   11.135
_cell_length_c                   8.363
_cell_volume                     579.8
_cod_database_code               1010443
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_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 c 0.25 0.083 -0.258 1. 0 d
Cs1 Cs1+ 4 c 0.25 0.083 0.322 1. 0 d
Cs2 Cs1+ 4 c 0.25 -0.3 -0.481 1. 0 d
O1 O2- 4 c 0.25 0.083 -0.067 1. 0 d
O2 O2- 4 c 0.25 -0.053 -0.322 1. 0 d
O3 O2- 8 d 0.039 0.15 -0.322 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr6+ 6.000
Cs1+ 1.000
O2- -2.000
