#------------------------------------------------------------------------------
#$Date: 2018-01-23 17:04:01 +0200 (Tue, 23 Jan 2018) $
#$Revision: 205499 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010004.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_1010004
loop_
_publ_author_name
'Sillén, Lars Gunnar'
_publ_section_title
;
 Die Kristallstruktur des monoklinen α-Bi₂O₃
;
_journal_coden_ASTM              NATWAY
_journal_issue                   13
_journal_name_full               Naturwissenschaften
_journal_page_first              206
_journal_page_last               207
_journal_paper_doi               10.1007/BF01498757
_journal_volume                  28
_journal_year                    1940
_chemical_formula_structural     'Bi2 O3'
_chemical_formula_sum            'Bi2 O3'
_chemical_name_mineral           Bismite
_chemical_name_systematic        'Bismuth oxide - α'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 67.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.83
_cell_length_b                   8.14
_cell_length_c                   7.48
_cell_volume                     326.9
_cod_database_code               1010004
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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 4 e 0.520(5) 0.1875(5) 0.635(5) 1. 0 d
Bi2 Bi3+ 4 e 0.040(5) 0.043(5) 0.225(5) 1. 0 d
O1 O2- 4 e 0.615(5) 0.278(5) 0.316(5) 1. 0 d
O2 O2- 4 e 0.631(5) 0.027(5) 0.113(5) 1. 0 d
O3 O2- 4 e 0.024(5) 0.084(5) 0.460(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 141426
2 AMCSD 0016940
