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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/1/52/68/1526841.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_1526841
loop_
_publ_author_name
'Lee, T.-J.'
'Huang, C.F.'
'Yeh, K.W.'
'Teo, C.C.'
'Khor, T.S.'
'Ku, H.C.'
'Sakabe, K.'
'Huang, Y.'
'Hung, H.H.'
'Sakabe, N.'
_publ_section_title
;
 X-ray structure analysis of Bi2212 using synchrotron source and high
 dynamic range imaging plate detector
;
_journal_name_full               'Chinese Journal of Physics (Taipei)'
_journal_page_first              243
_journal_page_last               261
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Bi2 Cu2 O8.5 Pr Sr2'
_chemical_name_systematic        'Bi2 Sr2 Pr Cu2 O8.5'
_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                   5.487
_cell_length_b                   5.507
_cell_length_c                   30.33
_cell_volume                     916.479
_citation_journal_id_ASTM        CJOPAW
_cod_data_source_file            Lee_CJOPAW_2000_113.cif
_cod_data_source_block           Bi2Cu2O8.5Pr1Sr2
_cod_original_cell_volume        916.4788
_cod_original_sg_symbol_Hall     '-C 2 2c (z,x,y)'
_cod_original_formula_sum        'Bi2 Cu2 O8.5 Pr1 Sr2'
_cod_database_code               1526841
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
Cu1 Cu+2 0 0.7562 0.1909 1 0.0
O6 O-2 0.25 0.5 0.0454 0.125 0.0
Pr1 Pr+3 0 0.25 0.25 1 0.0
O2 O-2 0.25 0.5 0.2068 1 0.0
O5 O-2 0.25 0 0.0454 0.125 0.0
Sr1 Sr+2 0 0.2648 0.1343 1 0.0
O1 O-2 0.25 0 0.2068 1 0.0
O3 O-2 0 0.8424 0.1298 1 0.0
Bi1 Bi+3 0 0.7736 0.0501 1 0.0
O4 O-2 0 0.18 0.0642 1 0.0
