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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533811.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_1533811
loop_
_publ_author_name
'Vannier, R.N.'
'Pernot, E.'
'Anne, M.'
'Nowogrocki, G.'
'Isnard, O.'
'Mairesse, G.'
_publ_section_title
;
 Bi4 V2 O11 polymorph crystal structures related to their
 electricalproperties
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              147
_journal_page_last               153
_journal_volume                  157
_journal_year                    2003
_chemical_formula_sum            'Bi4 O11 V2'
_chemical_name_systematic        'Bi4 (V2 O11)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'A 2'
_symmetry_space_group_name_H-M   'A 1 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.267
_cell_formula_units_Z            6
_cell_length_a                   16.5942
_cell_length_b                   5.61
_cell_length_c                   15.2699
_cell_volume                     1421.512
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Vannier_SSIOD3_2003_898.cif
_cod_data_source_block           Bi4O11V2
_cod_original_sg_symbol_Hall     'C 2y (z,x,y)'
_cod_database_code               1533811
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,y+1/2,z+1/2
-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
O17 O-2 0.0507 0.346 -0.006 1 0.0
O15 O-2 0.483 0.085 -0.014 0.5 0.0
O14 O-2 0.229 0.144 -0.092 1 0.0
O11 O-2 0.425 0.728 0.114 1 0.0
Bi5 Bi+3 0.4149 0.2738 0.172 1 0.0
O18 O-2 0.34 0.442 0.025 1 0.0
O19 O-2 0.517 0.405 -0.035 0.5 0.0
O8 O-2 0.845 0.509 0.246 1 0.0
O1 O-2 0 0 0.25 1 0.0
O6 O-2 0.332 -0.018 0.252 1 0.0
O10 O-2 0.078 0.809 0.091 1 0.0
V2 V+5 0.0678 0.719 -0.001 1 0.0
Bi3 Bi+3 0.2544 0.7667 0.17 1 0.0
O3 O-2 0.5 0 0.261 1 0.0
O5 O-2 0.172 -0.014 0.247 1 0.0
O9 O-2 0.216 0.18 0.088 1 0.0
O7 O-2 0.331 0.501 0.258 1 0.0
Bi2 Bi+3 0.087 0.7238 0.324 1 0.0
O2 O-2 0 0.5 0.244 1 0.0
Bi1 Bi+3 0.0822 0.2059 0.165 1 0.0
O16 O-2 0.338 -0.04 0.028 1 0.0
O13 O-2 0.078 0.841 -0.094 1 0.0
Bi4 Bi+3 0.2456 0.2876 0.333 1 0.0
Bi6 Bi+3 0.4135 0.7614 0.336 1 0.0
O12 O-2 0.399 0.708 0.895 0.5 0.0
O20 O-2 0.187 0.585 0.013 1 0.0
V1 V+5 0.2466 0.316 -0.008 1 0.0
V3 V+5 0.4324 0.829 -0.004 1 0.0
O4 O-2 0.5 0.5 0.248 1 0.0
