#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:43:30 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172080 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540904.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_1540904
loop_
_publ_author_name
'Schewe-Miller, I.'
'Boettcher, P.'
_publ_section_title
;
 Ternaere Telluride mit W5Si3-Typ-Struktur: MxK4Te3 (M=Ca,Sr)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              98
_journal_page_last               108
_journal_volume                  183
_journal_year                    1992
_chemical_formula_sum            'Ca0.66 K4 Te3'
_chemical_name_systematic        'Ca.66 K4 Te3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.649
_cell_length_b                   13.649
_cell_length_c                   6.277
_cell_volume                     1169.375
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Schewe-Miller_JALCEU_1992_1620.cif
_cod_data_source_block           Ca0.66K4Te3
_cod_database_code               1540904
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,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
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-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
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Te2 Te-1 0.17 0.67 0 0.3333 0.0
K1 K+1 0.0878 0.2218 0 1 0.0
Ca3 Ca+2 0 0.5 0.5046 0.055 0.0
Ca1 Ca+2 0 0.5 0.25 0.22 0.0
Ca2 Ca+2 0 0.5 0.8773 0.165 0.0
Te4 Te-1 0.13 0.63 0 0.3333 0.0
Te3 Te-1 0.15 0.65 0.03 0.1666 0.0
Te1 Te-1 0 0 0.25 1 0.0
