#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/45/8104501.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_8104501
loop_
_publ_author_name
'Eisenmann, B.'
'Zagler, R.'
_publ_section_title
;
 Crystal structure of tripotassium tritellurobismutate(III)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              257
_journal_page_last               258
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Bi K3 Te3'
_chemical_name_systematic        'K3 Bi Te3'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.369
_cell_length_b                   10.369
_cell_length_c                   10.369
_cell_volume                     1114.835
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Eisenmann_ZEKRDZ_1991_1473.cif
_cod_data_source_block           Bi1K3Te3
_cod_original_formula_sum        'Bi1 K3 Te3'
_cod_database_code               8104501
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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 0.8171 0.8171 0.8171 1 0.0
Bi1 Bi+3 0.03665 0.03665 0.03665 1 0.0
Te1 Te-2 0.22696 0.61719 0.50014 1 0.0
K2 K+1 0.32647 0.32647 0.32647 1 0.0
K1 K+1 0.57446 0.57446 0.57446 1 0.0
