#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/21/1542103.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_1542103
loop_
_publ_author_name
'Aurivillius, B.'
'Loewenhielm, A.'
_publ_section_title
;
 The crystal structure of the orthorhombic modification of Bi O H Cr O4. A
 refinement of the structure of monoclinic Bi O H Cr O4
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1937
_journal_page_last               1957
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'Bi Cr H O5'
_chemical_name_systematic        'Bi (Cr O4 (O H))'
_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                 93.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.625
_cell_length_b                   9.592
_cell_length_c                   7.476
_cell_volume                     402.770
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Aurivillius_ACSAA4_1964_724.cif
_cod_data_source_block           H1Bi1Cr1O5
_cod_original_cell_volume        402.7697
_cod_original_formula_sum        'H1 Bi1 Cr1 O5'
_cod_database_code               1542103
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 0.2759 0.58618 0.15772 1 0.0
O3 O-2 0.9649 0.1741 0.269 1 0.0
O4 O-2 0.7361 0.9238 0.2764 1 0.0
O1 O-2 0.4639 0.1583 0.2647 1 0.0
O5 O-2 0.8003 0.064 0.935 1 0.0
O2 O-2 0.7279 0.0927 0.5564 1 0.0
Bi1 Bi+3 0.15612 0.1677 0.01593 1 0.0
