data_8103605
_publ_section_title
;
 Zur Polymorphie des Wismuttribromids
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              271
_journal_page_last               285
_journal_volume                  151
_journal_year                    1980
_chemical_formula_sum            'Bi Br3'
_chemical_name_systematic        'Bi Br3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.65
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.429
_cell_length_b                   9.848
_cell_length_c                   6.756
_cell_volume                     528.148
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            vonBenda_ZEKRDZ_1980_266.cif
_cod_data_source_block           Bi1Br3
_cod_cif_authors_sg_Hall         '-P 2ybc (z,y,-x)'
_cod_original_cell_volume        528.1484
_cod_chemical_formula_sum_orig   'Bi1 Br3'
_cod_database_code               8103605
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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
Br2 Br-1 0.1952 0.0574 0.219 1 0.0
Br3 Br-1 0.1726 0.4191 0.2221 1 0.0
Bi1 Bi+3 0.3185 0.3142 0.968 1 0.0
Br1 Br-1 0.0356 0.2478 0.6621 1 0.0
