#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531798.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_1531798
loop_
_publ_author_name
'McLaughlin, A.C.'
'Attfield, J.P.'
'Stout, L.D.'
'McAllister, J.A.'
_publ_section_title
;
 The synthesis, structure and magnetic properties of Pb2 Sr2 Cu2 Ru O8 Cl,
 a new layered ruthenocuprate
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              431
_journal_page_last               436
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Cl Cu2 O8 Pb2 Ru Sr2'
_chemical_name_systematic        'Pb2 Sr2 (Cu2 Ru O8) Cl'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.86681
_cell_length_b                   3.86681
_cell_length_c                   15.3688
_cell_volume                     229.798
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            McLaughlin_SSSCFJ_2002_930.cif
_cod_data_source_block           Cl1Cu2O8Pb2Ru1Sr2
_cod_original_cell_volume        229.7977
_cod_original_formula_sum        'Cl1 Cu2 O8 Pb2 Ru1 Sr2'
_cod_database_code               1531798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Ru1 Ru+5 0 0 0.5 1 0.0
Pb1 Pb+2 0.5 0.5 0.1244 1 0.0
O1 O-2 0.033 0 0.3753 0.25 0.0
O3 O-2 0.119 0.5 0.5 0.5 0.0
Cu1 Cu+2 0 0 0.2296 1 0.0
O2 O-2 0 0.5 0.219 1 0.0
Sr1 Sr+2 0.5 0.5 0.3575 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
