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#$Date: 2016-12-19 00:21:11 +0200 (Mon, 19 Dec 2016) $
#$Revision: 189208 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107126.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107126
loop_
_publ_author_name
'Philippot, E.'
'Lindqvist, O.'
_publ_section_title
;
 The Crystal Structure of Potassium Trithiocarbonate Monohydrate, K2 C S3
 (H2 O)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              877
_journal_page_last               881
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'C H2 K2 O S3'
_chemical_name_systematic        'K2 C S3 (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.759
_cell_length_b                   17.066
_cell_length_c                   6.418
_cell_volume                     737.001
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Philippot_ACBCAR_1970_1748.cif
_cod_data_source_block           C1H2K2O1S3
_cod_original_cell_volume        737.0006
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C1 H2 K2 O1 S3'
_cod_database_code               2107126
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
_atom_site_attached_hydrogens
S1 S-2 0.4921 0.3176 0.0639 1 0.0 0
K1 K+1 0.5867 0.3006 0.5661 1 0.0 0
C1 C+4 0.694 0.3783 0.0913 1 0.0 0
S2 S-2 0.3855 0.1353 0.4366 1 0.0 0
S3 S-2 0.7033 0.4541 0.2657 1 0.0 0
K2 K+1 0.7872 0.5399 0.771 1 0.0 0
O1 O-2 0.7936 0.6433 0.4439 1 0.0 2
