#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526607.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_1526607
loop_
_publ_author_name
'Shimakawa, Y.'
'Kubo, Y.'
'Asano, H.'
'Nakagawa, Y.'
'Izumi, F.'
'Kamiyama, T.'
'Goto, S.'
_publ_section_title
;
 Crystal structure and ferroelectric properties of A Bi2 Ta2 O9 (A = Ca,
 Sr and Ba)
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6559
_journal_page_last               6564
_journal_volume                  61
_journal_year                    2000
_chemical_formula_sum            'Bi2 Ca O9 Ta2'
_chemical_name_systematic        'Ca (Bi2 Ta2 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                   5.4625
_cell_length_b                   5.4286
_cell_length_c                   24.94499
_cell_volume                     739.712
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Shimakawa_PRBMDO_2000_467.cif
_cod_data_source_block           Bi2Ca1O9Ta2
_cod_original_cell_volume        739.7119
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Bi2 Ca1 O9 Ta2'
_cod_database_code               1526607
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
O1 O-2 0.5575 0.3175 0 1 0.0
O4 O-2 0.7555 0.9638 0.06389 1 0.0
O5 O-2 0.8423 0.949 0.58578 1 0.0
Ca1 Ca+2 0 0.2484 0 1 0.0
O3 O-2 0.7535 0.9952 0.25025 1 0.0
O2 O-2 0.5299 0.68 0.34439 1 0.0
Bi1 Bi+3 0.4865 0.7749 0.19894 1 0.0
Ta1 Ta+5 0.5285 0.751 0.4168 1 0.0
