#------------------------------------------------------------------------------
#$Date: 2015-07-11 15:38:22 +0200 (Sat, 11 Jul 2015) $
#$Revision: 144976 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/42/1524259.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_1524259
loop_
_publ_author_name
'Dittmar, G.'
_publ_section_title
;
 Die Kristallstrukturen von K6 (Ge2 Te6) und K6 (Sn2 Te6) und ihre
 kristall-chemische Beziehung zum K6 (S Te6) -Typ
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               78
_journal_volume                  453
_journal_year                    1979
_chemical_formula_sum            'Ge2 K6 Te6'
_chemical_name_systematic        'K6 Ge2 Te6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.01
_cell_length_b                   13.619
_cell_length_c                   9.713
_cell_volume                     2109.142
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dittmar_ZAACAB_1979_562.cif
_cod_data_source_block           Ge2K6Te6
_cod_database_code               1524259
loop_
_symmetry_equiv_pos_as_xyz
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
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
K4 K+1 0.5 0.4085 0.25 1 0.0
K2 K+1 0.5907 0.7809 0.132 1 0.0
Te3 Te-2 0.4098 0.6096 0.0619 1 0.0
K1 K+1 0.2363 0.0112 0.224 1 0.0
K3 K+1 0.5 0.0967 0.25 1 0.0
Te2 Te-2 0.3924 0.9172 0.0378 1 0.0
Ge1 Ge+3 0.3216 0.7535 0.9595 1 0.0
Te1 Te-2 0.3113 0.7424 0.6923 1 0.0
