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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209481.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_7209481
loop_
_publ_author_name
'Becker, P.'
'Froehlich, R.'
_publ_section_title
;
 Crystal growth and crystal structure of metastable bismuth orthborate,
 BiBO3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              256
_journal_page_last               258
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'B Bi O3'
_chemical_name_systematic        'Bi (B O3)'
_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                 108.91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.585
_cell_length_b                   5.027
_cell_length_c                   8.349
_cell_volume                     261.459
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_86.cif
_cod_data_source_block           B1Bi1O3
_cod_original_cell_volume        261.4589
_cod_original_formula_sum        'B1 Bi1 O3'
_cod_database_code               7209481
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
O2 O-2 0.3334 0.129 0.0299 1 0.0
B1 B+3 0.208 0.2527 0.1092 1 0.0
O1 O-2 0.0693 0.1103 0.1698 1 0.0
Bi1 Bi+3 -0.25713 0.23409 0.12288 1 0.0
O3 O-2 0.2439 0.5214 0.143 1 0.0
