#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532718.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_1532718
loop_
_publ_author_name
'Lee Choong-Young'
'Marquart, R.'
'Zhou Qingdi'
'Kennedy, B.J.'
_publ_section_title
;
 Structural and spectroscopic studies of Bi Ta1-x Nbx O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              310
_journal_page_last               318
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Bi Nb O4'
_chemical_name_systematic        'Bi (Nb 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                   5.6827
_cell_length_b                   11.717
_cell_length_c                   4.9854
_cell_volume                     331.949
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            LeeChoong-Young_JSSCBI_2003_132.cif
_cod_data_source_block           Bi1Nb1O4
_cod_original_cell_volume        331.9489
_cod_original_formula_sum        'Bi1 Nb1 O4'
_cod_database_code               1532718
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
O1 O-2 0.145 0.314 0.505 1 0.0
Bi1 Bi+3 0.25 0 0.7186 1 0.0
O2 O-2 0.583 0.903 0.593 1 0.0
Nb1 Nb+5 0.3498 0.25 0.25 1 0.0
