#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526998.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_1526998
loop_
_publ_author_name
'Yamaura, K.'
'Huang, Q.'
'Takayama-Muromachi, E.'
_publ_section_title
;
 Crystal structure and magnetism of the linear-chain copper oxides Sr5
 Pb3-x Bix Cu O12
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              1844281
_journal_page_last               1844287
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Bi0.4 Cu O12.61 Pb2.6 Sr5'
_chemical_name_systematic        'Sr5 (Pb2.6 Bi0.4) Cu O12.61'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.1236
_cell_length_b                   10.1236
_cell_length_c                   3.54182
_cell_volume                     314.360
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Yamaura_PRBMDO_2001_1926.cif
_cod_data_source_block           Bi0.4Cu1O12.61Pb2.6Sr5
_cod_original_cell_volume        314.3599
_cod_original_formula_sum        'Bi0.4 Cu1 O12.61 Pb2.6 Sr5'
_cod_database_code               1526998
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-z
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
O1 O-2 0.1767 0 0.5 0.785 0.0
Sr2 Sr+2 0.7017 0 0.5 1 0.0
O5 O-2 0.9587 0 0.93 0.105 0.0
Sr1 Sr+2 0.3333 0.6667 0.5 1 0.0
Cu1 Cu+3 0 0 0.3275 0.5 0.0
Bi1 Bi+3 0.3381 0 0 0.133 0.0
O3 O-2 0.2369 0.4435 0 1 0.0
O4 O-2 0.1384 0 0.2085 0.105 0.0
Pb1 Pb+4 0.3381 0 0 0.867 0.0
O2 O-2 0.4614 0 0.5 1 0.0
