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#$Date: 2016-11-26 20:25:44 +0100 (Sat 26 de Nov de 2016) $
#$Revision: 188691 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526947.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_1526947
loop_
_publ_author_name
'Wong-Ng, W.'
'Kaduk, J. A.'
'Huang, Q.'
'Roth, R. S.'
_publ_section_title
;
 Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O₁₂
;
_journal_issue                   4
_journal_name_full               'Powder Diffraction'
_journal_page_first              227
_journal_page_last               233
_journal_paper_doi               10.1017/S0885715600011131
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Bi2.8 Ca1.2 O12 Sr4'
_chemical_name_systematic        '(Bi2.8 Ca1.2) Sr4 O12'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.997
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.38898
_cell_length_b                   5.99334
_cell_length_c                   5.89586
_cell_volume                     296.432
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2000_456.cif
_cod_data_source_block           Bi2.8Ca1.2O12Sr4
_cod_original_cell_volume        296.4321
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1526947
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
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
Bi2 Bi+4 0 0.5 0.5 0.42 0.0
O2 O-2 -0.0502 0.286 0.1962 1 0.0
O3 O-2 0.0474 0.1957 0.7107 1 0.0
Ca1 Ca+2 0 0 0 0.02 0.0
Sr1 Sr+2 0.2518 0.4594 -0.0092 1 0.0
O1 O-2 0.2406 0.031 0.0899 1 0.0
Ca2 Ca+2 0 0.5 0.5 0.58 0.0
Bi1 Bi+4 0 0 0 0.98 0.0
