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#$Date: 2016-01-01 13:39:02 +0100 (vie 01 de ene de 2016) $
#$Revision: 172391 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541149.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_1541149
loop_
_publ_author_name
'Radaev, S.F.'
'Muradyan, L.A.'
'Yudin, A.N.'
'Sarin, V.A.'
'Kanepit, V.N.'
'Marin, A.A.'
'Simonov, V.I.'
_publ_section_title
;
 Neutron-diffraction study of the atomic structure of Bi12 (V, Bi) O20+x
 single crystals
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              606
_journal_page_last               610
_journal_volume                  307
_journal_year                    1989
_chemical_formula_sum            'Bi12.03 O20.27 V0.89'
_chemical_name_systematic        'Bi12 (Bi.03 V.89) O20.27'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.247
_cell_length_b                   10.247
_cell_length_c                   10.247
_cell_volume                     1075.945
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Radaev_DANKAS_1989_825.cif
_cod_data_source_block           Bi12.03O20.27V0.89
_cod_database_code               1541149
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,-x+1/2
-y+1/2,-z+1/2,x+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
O4 O-2 0 0.5 0 0.09 0.0
Bi1 Bi+3 0.1774 0.32235 0.02293 1 0.0
O1 O-2 0.13383 0.24748 0.49057 1 0.0
V1 V+5 0 0 0 0.89 0.0
O3 O-2 0.90282 0.90282 0.90282 1 0.0
O2 O-2 0.20007 0.20007 0.20007 1 0.0
Bi2 Bi+3 0 0 0 0.03 0.0
