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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540940.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_1540940
loop_
_publ_author_name
'Sequeira, A.'
'Rajagopal, H.'
'Yakhmi, J.V.'
_publ_section_title
;
 On the coordination of bismuth in Bi2 Ca Sr2 Cu2 O8 - A2aa/Amaa
 structures revisited
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              515
_journal_page_last               519
_journal_volume                  157
_journal_year                    1989
_chemical_formula_sum            'Bi2 Ca Cu2 O9.07 Sr2'
_chemical_name_systematic        'Bi2 Ca Sr2 Cu2 O9.07'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-A 2a 2'
_symmetry_space_group_name_H-M   'A m a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.423
_cell_length_b                   5.376
_cell_length_c                   30.72
_cell_volume                     895.612
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Sequeira_PHYCE6_1989_1063.cif
_cod_data_source_block           Bi2Ca1Cu2O9.07Sr2
_cod_original_cell_volume        895.6123
_cod_original_sg_symbol_Hall     '-C 2 2c (z,x,y)'
_cod_original_formula_sum        'Bi2 Ca1 Cu2 O9.07 Sr2'
_cod_database_code               1540940
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x+1/2,y,-z
-x+1/2,-y,z
-x,-y,-z
-x,y,z
x-1/2,-y,z
x-1/2,y,-z
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x-1/2,-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
O4 O-2 0.146 0.832 0.428 0.344 0.0
Sr1 Sr+2 0 0.75 0.3578 1 0.0
Bi1 Bi+3 0 0.238 0.4463 1 0.0
O1 O-2 0.25 0 0.3199 1 0.0
Cu1 Cu+3 0 0.25 0.3017 1 0.0
O5 O-2 0 0.367 0.38 0.85 0.0
O3 O-2 0 0.59 0.451 1 0.0
Ca1 Ca+2 0 0.75 0.25 1 0.0
O2 O-2 0.25 0.5 0.2915 1 0.0
