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#$Date: 2021-11-02 10:26:19 +0200 (Tue, 02 Nov 2021) $
#$Revision: 270199 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/40/4004040.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_4004040
loop_
_publ_author_name
'Belik, A.A.'
'Iikubo, S.'
'Kodama, K.'
'Igawa, N.'
'Shamoto, S.'
'Takayama-Muromachi, E.'
_publ_section_title
;
 Neutron powder diffraction study on the crystal and magnetic structures
 of BiCrO3 :At 470 K perovskite structure
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3765
_journal_page_last               3769
_journal_paper_doi               10.1021/cm800375d
_journal_volume                  20
_journal_year                    2008
_chemical_formula_sum            'Bi Cr O3'
_chemical_name_common            'BiCrO3 perovskite at 490 K'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.54568(12)
_cell_length_b                   7.7577(2)
_cell_length_c                   5.42862(12)
_cell_volume                     233.549(9)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      490
_cod_data_source_file            BiCrO3-perovskite-490K.cif
_cod_data_source_block           BiCrO3-perovskite-490K
_cod_original_cell_volume        233.548(9)
_cod_database_code               4004040
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
3 -x+1/2,-y,z+1/2
4 x+1/2,y,-z+1/2
5 -x,y+1/2,-z
6 x,-y+1/2,z
7 x+1/2,-y+1/2,-z+1/2
8 -x+1/2,y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Bi 1.0 0.0429(2) 0.250000 0.9954(3) Biso 1.02(3) Bi
Cr 1.0 0.000000 0.000000 0.500000 Biso 0.46(4) Cr
O1 1.0 0.4783(3) 0.250000 0.0798(3) Biso 0.65(3) O
O2 1.0 0.2959(2) 0.03958(16) 0.7030(2) Biso 1.01(3) O