#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/88/2018871.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018871
loop_
_publ_author_name
'Liebertz, J.'
'Froehlich, R.'
'Bohaty, L.'
_publ_section_title
;
 Die Kristallstruktur von Wismutborat, Bi B3 O6
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              343
_journal_page_last               344
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'B3 Bi O6'
_chemical_name_systematic        'Bi B3 O6'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.116
_cell_length_b                   4.993
_cell_length_c                   6.508
_cell_volume                     222.691
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            boron_396.cif
_cod_data_source_block           B3Bi1O6
_cod_original_cell_volume        222.6908
_cod_original_formula_sum        'B3 Bi1 O6'
_cod_database_code               2018871
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
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
B1 B+3 0.5 0.209 0.5 1 0.0
B2 B+3 0.252 0.056 0.694 1 0.0
Bi1 Bi+3 0 0 0 1 0.0
O1 O-2 0.354 0.041 0.549 1 0.0
O3 O-2 0.292 0.206 0.876 1 0.0
O2 O-2 0.408 0.385 0.316 1 0.0
