#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533206.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_1533206
loop_
_publ_author_name
'Gateshki, M.'
'Igartua, J.M.'
_publ_section_title
;
 Second-order structural phase transition in Sr2 Cu W O6 double-perovskite
 oxide
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6749
_journal_page_last               6757
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Cu O6 Sr2 W'
_chemical_name_systematic        'Sr2 (Cu W O6)'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4169
_cell_length_b                   5.4169
_cell_length_c                   8.3976
_cell_volume                     246.409
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Gateshki_JCOMEL_2003_1555.cif
_cod_data_source_block           Cu1O6Sr2W1
_cod_original_cell_volume        246.4092
_cod_original_formula_sum        'Cu1 O6 Sr2 W1'
_cod_database_code               1533206
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+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
O1 O-2 0 0 0.2261 1 0.0
Sr1 Sr+2 0 0.5 0.25 1 0.0
O2 O-2 0.207 0.2872 0 1 0.0
Cu1 Cu+2 0 0 0.5 1 0.0
W1 W+6 0 0 0 1 0.0
