#------------------------------------------------------------------------------
#$Date: 2015-07-11 15:38:29 +0200 (Sat, 11 Jul 2015) $
#$Revision: 144977 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/42/1524260.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_1524260
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(Si2Te6)-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            'K6 Sn2 Te6'
_chemical_name_systematic        'K6 (Sn2 Te6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.84
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.59
_cell_length_b                   13.654
_cell_length_c                   9.606
_cell_volume                     1122.323
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dittmar_ZAACAB_1979_563.cif
_cod_data_source_block           K6Sn2Te6
_cod_database_code               1524260
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
K3 K+1 0.5018 0.3431 0.9891 1 0.0
Te3 Te-2 0.6717 0.8671 0.9252 1 0.0
Te1 Te-2 0.8553 0.9752 0.6012 1 0.0
K2 K+1 0.2762 0.9346 0.7929 1 0.0
K1 K+1 0.0548 0.2819 0.2033 1 0.0
Te2 Te-2 0.7397 0.1921 0.8823 1 0.0
Sn1 Sn+3 0.8474 0.008 0.8778 1 0.0
