#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124613.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_4124613
loop_
_publ_author_name
'Azuma, M.'
'Yoshida, H.'
'Saito, T.'
'Yamada, T.'
'Takano, M.'
_publ_section_title
;
 Pressure-induced buckling of spin ladder in Sr Cu2 O3
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8244
_journal_page_last               8246
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'Cu2 O3 Sr'
_chemical_name_systematic        'Sr (Cu2 O3)'
_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                   3.9313
_cell_length_b                   11.5629
_cell_length_c                   3.4926
_cell_volume                     158.764
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Azuma_JACSAT_2004_1319.cif
_cod_data_source_block           Cu2O3Sr1
_cod_original_cell_volume        158.7639
_cod_original_formula_sum        'Cu2 O3 Sr1'
_cod_database_code               4124613
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
O1 O-2 0.5 0 0 1 0.0
Cu1 Cu+2 0 0.3342 0 1 0.0
O2 O-2 0 0.1699 0 1 0.0
Sr1 Sr+2 0 0 0.5 1 0.0
