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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536784.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_1536784
loop_
_publ_author_name
'Yamamoto, A.'
'Onoda, A.'
'Takayama-Muromachi, E.'
'Izumi, F.'
_publ_section_title
;
 Rietveld analysis of the modulated structure in the superconducting Oxide
 Bi2 (Sr,Ca)3 Cu2 O8+x
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              4228
_journal_page_last               4239
_journal_volume                  42
_journal_year                    1990
_chemical_formula_sum            'Bi2 Ca Cu2 O9 Sr2'
_chemical_name_systematic        'Bi2 (Sr2 Ca) Cu2 O9'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c (y,z,x)'
_symmetry_space_group_name_H-M   'C c c m (b,c,a)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3957
_cell_length_b                   5.3971
_cell_length_c                   30.649
_cell_volume                     892.534
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Yamamoto_PRBMDO_1990_1791.cif
_cod_data_source_block           Bi2Ca1Cu2O9Sr2
_cod_original_cell_volume        892.5336
_cod_original_sg_symbol_H-M      'B b m b'
_cod_original_formula_sum        'Bi2 Ca1 Cu2 O9 Sr2'
_cod_database_code               1536784
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y+1/2,z
x,-y+1/2,-z
-x,-y,-z
x,-y,z
x,y-1/2,-z
-x,y-1/2,z
x+1/2,y,z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,-y,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 0.25 0 0.0528 0.5 0.0
O5 O-2 0.5 0.25 0.0528 0.5 0.0
Ca1 Ca+2 0.25 0 0.25 1 0.0
O6 O-2 0 0.25 0.0528 0.5 0.0
O3 O-2 0.25 0.5 0.117 1 0.0
Sr1 Sr+2 0.25 0 0.1409 1 0.0
Cu1 Cu+1 0.25 0.5 0.1963 1 0.0
O1 O-2 0 0.25 0.1963 1 0.0
O2 O-2 0.5 0.25 0.1963 1 0.0
Bi1 Bi+5 0.25 0.5 0.0528 1 0.0