#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103762.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_8103762
loop_
_publ_author_name
'Kazantsev, S.S.'
'Sapozhnikov, A.N.'
'Pushcharovskii, D.Yu.'
'Molchanov, V.N.'
'Werner, S.'
'Maximov, B.A.'
'Schneider, J.'
_publ_section_title
;
 Phase transitions in solid solution series bismutocolumbite -
 stibiocolumbite (Bi - Sb) (Nb0.79 Ta0.21) O4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Bi Nb0.79 O4 Ta0.21'
_chemical_name_systematic        'Bi (Nb0.79 Ta0.21) O4'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.58
_cell_length_b                   11.626
_cell_length_c                   4.924
_cell_volume                     319.435
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Kazantsev_ZEKRDZ_2002_1062.cif
_cod_data_source_block           Bi1Nb0.79O4Ta0.21
_cod_original_formula_sum        'Bi1 Nb0.79 O4 Ta0.21'
_cod_database_code               8103762
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-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
Ta1 Ta+5 0.3488 0.75 0.75 0.21 0.0
Bi1 Bi+3 0.25 0.5 0.7713 1 0.0
O1 O-2 0.132 0.688 0.513 1 0.0
Nb1 Nb+5 0.3488 0.75 0.75 0.79 0.0
O2 O-2 0.412 0.898 0.402 1 0.0
