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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525659.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_1525659
loop_
_publ_author_name
'Bellingeri, E.'
'Fluekiger, R.'
'Grasso, G.'
'Gladyshevskii, R.E.'
'Dhalle, M.'
_publ_section_title
;
 New Bi-based high-Tc superconducting phases obtained by low-temperature
 fluorination
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              267
_journal_page_last               278
_journal_volume                  329
_journal_year                    2000
_chemical_formula_sum            'Bi2 Ca1.7 Cu3 O10 Pb0.3 Sr2'
_chemical_name_systematic        '(Bi1.7 Pb0.3) Sr2 (Ca1.7 Bi0.3) Cu3 O10'
_space_group_IT_number           37
_symmetry_space_group_name_Hall  'A -2a 2'
_symmetry_space_group_name_H-M   'A 2 a a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.402
_cell_length_b                   5.419
_cell_length_c                   36.957
_cell_volume                     1081.858
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Bellingeri_PHYCE6_2000_401.cif
_cod_data_source_block           Bi2Ca1.7Cu3O10Pb0.3Sr2
_cod_original_cell_volume        1081.859
_cod_original_sg_symbol_Hall     'C 2 -2c (z,x,y)'
_cod_database_code               1525659
loop_
_symmetry_equiv_pos_as_xyz
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
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
Sr1 Sr+2 0.5 0.25 0.1156 1 0.0
Cu2 Cu+2 0 0.25 0.25 1 0.0
Bi1 Bi+3 0.044 0.209 0.0428 0.85 0.0
O1 O-2 0.25 0 0.2598 1 0.0
O5 O-2 0.488 0.176 0.0422 1 0.0
O2 O-2 0.25 0 0.161 1 0.0
Pb1 Pb+2 0.044 0.209 0.0428 0.15 0.0
Bi2 Bi+3 0.5 0.25 0.2078 0.15 0.0
O3 O-2 0.25 0.5 0.162 1 0.0
Cu1 Cu+2 0 0.25 0.1604 1 0.0
Ca1 Ca+2 0.5 0.25 0.2078 0.85 0.0
O4 O-2 0 0.25 0.0949 1 0.0
