#------------------------------------------------------------------------------
#$Date: 2015-07-10 13:40:18 +0300 (Fri, 10 Jul 2015) $
#$Revision: 141875 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/16/1521662.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_1521662
loop_
_publ_author_name
'Narducci, A.A.'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses, crystal structures, and band gaps of Cs2 Cd3 Te4 and Rb2 Cd3
 Te4
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              170
_journal_page_last               174
_journal_volume                  306
_journal_year                    2000
_chemical_formula_sum            'Cd3 Cs2 Te4'
_chemical_name_systematic        'Cs2 Cd3 Te4'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.667
_cell_length_b                   13.01
_cell_length_c                   15.39
_cell_volume                     1334.893
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Narducci_JALCEU_2000_1365.cif
_cod_data_source_block           Cd3Cs2Te4
_cod_database_code               1521662
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Te1 Te-2 0.27355 0.36971 0.14075 1 0.0
Cs1 Cs+1 0.23116 0.37795 0.5 1 0.0
Cd2 Cd+2 0 0.27189 0.25 1 0.0
Cd1 Cd+2 0.5 0.5 0.25 1 0.0
