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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/1/53/09/1530992.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_1530992
loop_
_publ_author_name
'Weller, M.T.'
'Lines, D.R.'
_publ_section_title
;
 Structure and oxidation state relationships in ternary copper oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              21
_journal_page_last               29
_journal_volume                  82
_journal_year                    1989
_chemical_formula_sum            'Cu O3 Sr2'
_chemical_name_systematic        'Sr2 Cu O3'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.7163
_cell_length_b                   3.9159
_cell_length_c                   3.5032
_cell_volume                     174.445
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Weller_JSSCBI_1989_1832.cif
_cod_data_source_block           Cu1O3Sr2
_cod_original_cell_volume        174.4445
_cod_original_formula_sum        'Cu1 O3 Sr2'
_cod_database_code               1530992
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+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,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
O2 O-2 0 0 0 1 0.0
Sr1 Sr+2 0.3521 0.5 0 1 0.0
Cu1 Cu+2 0.5 0 0.5 1 0.0
O1 O-2 0.1547 0.5 0 1 0.0
