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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/1/52/22/1522271.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_1522271
loop_
_publ_author_name
'Yang, Y.-T.'
'Ibers, J.A.'
_publ_section_title
;
 Synthesis and characterisation of a series of quaternary chalcogenides Ba
 Ln M Q3 (Ln = rare earth, M = coinage metal, Q = Se or Te)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              366
_journal_page_last               371
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba Cu Te3 Y'
_chemical_name_systematic        'Ba (Y Cu Te3)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.401
_cell_length_b                   14.706
_cell_length_c                   11.287
_cell_volume                     730.507
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yang_JSSCBI_1999_318.cif
_cod_data_source_block           Ba1Cu1Te3Y1
_cod_original_cell_volume        730.5071
_cod_original_formula_sum        'Ba1 Cu1 Te3 Y1'
_cod_database_code               1522271
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
Cu1 Cu+1 0 0.4673 0.25 1 0.0
Ba1 Ba+2 0 0.74997 0.25 1 0.0
Te1 Te-2 0 0.3622 0.05915 1 0.0
Y1 Y+3 0 0 0 1 0.0
Te2 Te-2 0 0.07094 0.25 1 0.0
