#------------------------------------------------------------------------------
#$Date: 2016-01-01 12:43:53 +0100 (Fri, 01 Jan 2016) $
#$Revision: 172083 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/43/8104316.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_8104316
loop_
_publ_author_name
'Schewe-Miller, I.'
'Boettcher, P.'
_publ_section_title
;
 Synthesis and crystal structures of K5 Se3, Cs5 Te3, and Cs2 Te
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              137
_journal_page_last               151
_journal_volume                  196
_journal_year                    1991
_chemical_formula_sum            'K19 Se11.4'
_chemical_name_systematic        '(K5 Se3)3.8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.82
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.289
_cell_length_b                   5.861
_cell_length_c                   12.988
_cell_volume                     987.527
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schewe-Miller_ZEKRDZ_1991_628.cif
_cod_data_source_block           K19Se11.4
_cod_database_code               8104316
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-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
K4 K+1 0.0861 0 0.3039 1 0.0
K3 K+1 0.4092 0 0.1355 1 0.0
K5 K+1 0.2179 0 0.1307 1 0.0
K2 K+1 0.2732 0 0.6842 1 0.0
K1 K+1 0 0.25 0.5 0.75 0.0
Se1 Se-1 0 0.7061 0 1 0.0
Se3 Se-2 0.1546 0 0.8115 0.93 0.0
Se2 Se-2 0.3426 0 0.498 0.89 0.0
