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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/12/1521262.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_1521262
loop_
_publ_author_name
'Iwanaga, D.'
'Itoh, M.'
'Inaguma, Y.'
_publ_section_title
;
 Crystal structure and magnetic properties of B-site ordered
 perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               295
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba2 Cu O6 Te'
_chemical_name_systematic        'Ba2 Cu (Te 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                   5.5903
_cell_length_b                   5.5903
_cell_length_c                   8.6426
_cell_volume                     270.094
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Iwanaga_JSSCBI_1999_306.cif
_cod_data_source_block           Ba2Cu1O6Te1
_cod_original_cell_volume        270.0938
_cod_original_formula_sum        'Ba2 Cu1 O6 Te1'
_cod_database_code               1521262
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
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0.263 0.244 0 1 0.0
Te1 Te+6 0 0 0.5 1 0.0
O1 O-2 0 0 0.281 1 0.0
Ba1 Ba+2 0 0.5 0.25 1 0.0
