#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531567.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_1531567
loop_
_publ_author_name
'Ijjaali, I.'
'Ibers, J.A.'
_publ_section_title
;
 Preparation and structures of Cs Gd2 Cu3 Se5 and Cs Tb2 Cu3 Se5
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              124
_journal_page_last               127
_journal_volume                  353
_journal_year                    2003
_chemical_formula_sum            'Cs Cu3 Se5 Tb2'
_chemical_name_systematic        'Cs (Tb2 Cu3 Se5)'
_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                   4.1268
_cell_length_b                   14.6204
_cell_length_c                   17.339
_cell_volume                     1046.157
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Ijjaali_JALCEU_2003_1365.cif
_cod_data_source_block           Cs1Cu3Se5Tb2
_cod_original_formula_sum        'Cs1 Cu3 Se5 Tb2'
_cod_database_code               1531567
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 0.1563 0.25 1 0.0
Se3 Se-2 0 0.33125 0.07032 1 0.0
Tb1 Tb+3 0 0.30771 0.591921 1 0.0
Cs1 Cs+1 0 0.43863 0.25 1 0.0
Se2 Se-2 0 0.73808 0.25 1 0.0
Cu2 Cu+1 0 0.08327 0.5325 1 0.0
Se1 Se-2 0 0.06066 0.11209 1 0.0
