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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/1/52/60/1526071.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_1526071
loop_
_publ_author_name
'Gaeberlein, P.O.G.'
_publ_section_title
;
 Solid solution compositions of Pb3 (Sr, Ca)5 Cu Oy and refinement with
 the Rietveld method
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              846
_journal_page_last               851
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'Ca Cu O10.62 Pb3 Sr4'
_chemical_name_systematic        'Pb3 Sr4 Ca Cu O10.62'
_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                   10.054
_cell_length_b                   10.054
_cell_length_c                   3.528
_cell_volume                     308.842
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Gaeberlein_MSFOEP_2000_347.cif
_cod_data_source_block           Ca1Cu1O10.62Pb3Sr4
_cod_original_cell_volume        308.8424
_cod_original_formula_sum        'Ca1 Cu1 O10.62 Pb3 Sr4'
_cod_database_code               1526071
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
O2 O-2 0.45768 0 0.5 1 0.0
Cu2 Cu+2 0 0 0 0.53 0.0
Ca1 Ca+2 0.70362 0 0.5 0.333 0.0
Pb2 Pb+4 0.3378 0 0 0.54 0.0
Sr1 Sr+2 0.3333 0.6667 0.5 1 0.0
O3 O-2 0.25743 0.44661 0 1 0.0
Cu1 Cu+2 0 0 0.5 0.47 0.0
O1 O-2 0.18276 0 0.5 0.54 0.0
Sr2 Sr+2 0.70362 0 0.5 0.667 0.0
Pb1 Pb+2 0.3378 0 0 0.46 0.0
