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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/1/52/22/1522269.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_1522269
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 La Te3'
_chemical_name_systematic        'Ba (La Cu Te3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.786
_cell_length_b                   4.5133
_cell_length_c                   14.71
_cell_volume                     782.480
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yang_JSSCBI_1999_317.cif
_cod_data_source_block           Ba1Cu1La1Te3
_cod_original_cell_volume        782.4801
_cod_original_formula_sum        'Ba1 Cu1 La1 Te3'
_cod_database_code               1522269
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Te3 Te-2 0.41619 0.25 0.39744 1 0.0
Ba1 Ba+2 0.26917 0.25 0.00178 1 0.0
La1 La+3 0.01185 0.25 0.75699 1 0.0
Te2 Te-2 0.25858 0.25 0.67771 1 0.0
Cu1 Cu+1 0.24174 0.25 0.28251 1 0.0
Te1 Te-2 0.05617 0.25 0.38735 1 0.0
