#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/16/4031665.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_4031665
loop_
_publ_author_name
'Kelly, B.'
'Woodward, P.'
_publ_section_title
;
 Crystal structure of dipotassium pentasulphide
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1314
_journal_page_last               1316
_journal_volume                  1976
_journal_year                    1976
_chemical_formula_sum            'K2 S5'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6
_cell_length_b                   17.414
_cell_length_c                   6.494
_cell_volume                     746.371
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Kelly_JCDTBI_1976_377.cif
_cod_data_source_block           K2S5
_cod_database_code               4031665
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
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
S3 S 0.6964 0.4466 0.1235 1 0.0
S5 S 0.6558 0.9613 0.2594 1 0.0
K1 K 0.5127 0.6248 0.4155 1 0.0
S2 S 0.6268 0.4247 0.8693 1 0.0
S1 S 0.5284 0.5874 0.9152 1 0.0
K2 K 0.8351 0.0799 0.2627 1 0.0
S4 S 0.646 0.2638 0.3443 1 0.0
