#------------------------------------------------------------------------------
#$Date: 2015-07-08 15:17:51 +0200 (Wed 08 de Jul de 2015) $
#$Revision: 141103 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002265.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_4002265
loop_
_publ_author_name
'Porob, D.G.'
'Guru Row, T.N.'
_publ_section_title
;
 A novel oxide ion conductor in a doped Bi2 O3 - V2 O5 system: ab initio
 structure of a new polymorph of Na Bi3 V2 O10 via powder X-ray
 diffraction
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3658
_journal_page_last               3661
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Bi3.114 Na0.886 O9.792 V2'
_chemical_name_systematic        'Na0.886 (Bi3.114 V2 O9.792)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.44
_cell_angle_beta                 113.462
_cell_angle_gamma                112.319
_cell_formula_units_Z            1
_cell_length_a                   7.1964
_cell_length_b                   7.0367
_cell_length_c                   5.5139
_cell_volume                     236.459
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Porob_CMATEX_2000_1054.cif
_cod_data_source_block           Bi3.114Na0.886O9.792V2
_cod_database_code               4002265
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O2 O-2 0.2175 0.4004 0.6284 1 0.0
Na1 Na+1 0.293 0.1208 0.6098 0.443 0.0
Bi2 Bi+3 0.0264 0.2568 -0.0552 1 0.0
O5 O-2 0.3645 0.2881 0.2141 1 0.0
O4 O-2 0.2666 0.8302 0.4445 1 0.0
O3 O-2 0.6762 0.2549 0.0776 0.896 0.0
O1 O-2 0.0458 -0.015 0.8086 1 0.0
Bi1 Bi+3 0.293 0.1208 0.6098 0.557 0.0
V1 V+4 0.6444 0.3474 0.2986 1 0.0
