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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/1/53/96/1539694.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_1539694
loop_
_publ_author_name
'Cava, R.J.'
'Santoro, A.'
'Marezio, M.'
'Krajewski, J.J.'
'Peck, W.F.jr.'
'Beech, F.'
_publ_section_title
;
 Neutron powder diffraction study of Pb2 Sr2 Y Cu3 O8, the prototype of a
 new family of superconductors
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              272
_journal_page_last               278
_journal_volume                  157
_journal_year                    1989
_chemical_formula_sum            'Cu3 O8 Pb2 Sr2 Y'
_chemical_name_systematic        'Pb2 Sr2 Y Cu Cu2 O8'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3933
_cell_length_b                   5.4311
_cell_length_c                   15.7334
_cell_volume                     460.856
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Cava_PHYCE6_1989_1366.cif
_cod_data_source_block           Cu3O8Pb2Sr2Y1
_cod_original_cell_volume        460.8557
_cod_original_formula_sum        'Cu3 O8 Pb2 Sr2 Y1'
_cod_database_code               1539694
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Cu1 Cu+1 0 0 0.5 1 0.0
O2 O-2 0.051 0.074 0.3849 0.5 0.0
O1 O-2 0.5 0 0.2514 1 0.0
Pb1 Pb+2 0.5 0 0.3883 1 0.0
Sr1 Sr+2 0 0 0.2207 1 0.0
Y1 Y+3 0 0 0 1 0.0
Cu2 Cu+2 0.5 0 0.1062 1 0.0
O3 O-2 0.25 0.25 0.0918 0.5 0.0
