#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/18/1541855.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_1541855
loop_
_publ_author_name
'Krebs, B.'
'Gattow, G.'
_publ_section_title
;
 Das Kohlenstoffsulfid-bis-(hydrogensulfid) S C (S H)2 und das System H2 S
 - C S2. 6. Die Kristallstruktur der Trithiokohlensaeure bei -100 C
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              294
_journal_page_last               311
_journal_volume                  340
_journal_year                    1965
_chemical_formula_sum            'C H2 S3'
_chemical_name_systematic        'C S (H S)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.12
_cell_length_b                   22.58
_cell_length_c                   5.88
_cell_volume                     1741.948
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1965_781.cif
_cod_data_source_block           C1H2S3
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C1 H2 S3'
_cod_database_code               1541855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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
S2 S-2 0.0045 0.169 0.718 1 0.0
S9 S-2 0.3565 0.068 0.353 1 0.0
S12 S-2 0.325 0.296 0.171 1 0.0
S1 S-2 0.99 0.083 0.333 1 0.0
S8 S-2 0.5015 0.081 0.746 1 0.0
S11 S-2 0.329 0.195 0.84 1 0.0
C4 C+4 0.282 0.262 0.918 1 0.0
C3 C+4 0.455 0.105 0.479 1 0.0
S3 S-2 0.135 0.182 0.299 1 0.0
S4 S-2 0.17 0.048 0.816 1 0.0
S6 S-2 0.171 0.96 0.195 1 0.0
C2 C+4 0.219 0.986 0.935 1 0.0
S7 S-2 0.5125 0.165 0.349 1 0.0
C1 C+4 0.044 0.145 0.447 1 0.0
S10 S-2 0.195 0.298 0.752 1 0.0
S5 S-2 0.316 0.948 0.805 1 0.0
