#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527163.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_1527163
loop_
_publ_author_name
'Boettcher, P.'
_publ_section_title
;
 Die Kristallstruktur von K2 S3 und K2 Se3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              167
_journal_page_last               172
_journal_volume                  432
_journal_year                    1977
_chemical_formula_sum            'K2 Se3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.692
_cell_length_b                   10.408
_cell_length_c                   7.717
_cell_volume                     617.810
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Boettcher_ZAACAB_1977_733.cif
_cod_data_source_block           K2Se3
_cod_original_cell_volume        617.8102
_cod_database_code               1527163
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
Se2 Se 0.2417 0.84 0 1 0.0
K2 K+1 0 0.5804 0.8504 1 0.0
K1 K+1 0 0.1011 0.1308 1 0.0
Se1 Se 0 0.79 0.181 1 0.0
