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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/7/11/77/7117792.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_7117792
loop_
_publ_author_name
'Evans, J.S.O.'
'Brogden, E.R.'
'Cordiner, R.L.'
'Thompson, A.L.'
_publ_section_title
;
 Synthesis and characterisation of the new oxyselenide Bi2 Y O4 Cu2 Se2
;
_journal_name_full               'Chemical Communications'
_journal_page_first              912
_journal_page_last               913
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'Bi2 Cu2 O4 Se2 Y'
_chemical_name_systematic        'Bi2 Y Cu2 O4 Se2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.86463
_cell_length_b                   3.86463
_cell_length_c                   24.428
_cell_volume                     364.841
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Evans_CHCOFS_2002_668.cif
_cod_data_source_block           Bi2Cu2O4Se2Y1
_cod_original_cell_volume        364.8411
_cod_original_formula_sum        'Bi2 Cu2 O4 Se2 Y1'
_cod_database_code               7117792
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
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
-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 0.5 0.94322 1 0.0
Bi1 Bi+3 0.5 0.5 0.89748 1 0.0
Se1 Se-2 0.5 0.5 0.31254 1 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
Cu1 Cu+1 0 0.5 0.25 1 0.0
