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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/10/7221048.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_7221048
loop_
_publ_author_name
Ismunandar
'Kennedy, B.J.'
_publ_section_title
;
 Effect of temperature on cation disorder in A Bi2 Nb2 O9 (A = Sr, Ba)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              541
_journal_page_last               544
_journal_volume                  9
_journal_year                    1999
_chemical_formula_sum            'Bi2 Nb2 O9 Sr'
_chemical_name_systematic        'Sr Bi2 (Nb2 O9)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5172
_cell_length_b                   5.5149
_cell_length_c                   25.08069
_cell_volume                     763.125
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Ismunandar_JMACEP_1999_149.cif
_cod_data_source_block           Bi2Nb2O9Sr1
_cod_original_cell_volume        763.1253
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Bi2 Nb2 O9 Sr1'
_cod_database_code               7221048
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
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+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
Sr1 Sr+2 0 0.247 0 0.89 0.0
Bi1 Bi+3 0 0.247 0 0.11 0.0
O2 O-2 0.47 0.798 0.341 1 0.0
O5 O-2 0.729 0.976 0.5707 1 0.0
O3 O-2 0.738 -0.005 0.25 1 0.0
O1 O-2 0.462 0.211 0 1 0.0
Nb1 Nb+5 0.47 0.751 0.4136 1 0.0
Sr2 Sr+2 0.473 0.733 0.201 0.06 0.0
Bi2 Bi+3 0.473 0.733 0.201 0.94 0.0
O4 O-2 0.673 0.967 0.0849 1 0.0
