#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534572.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_1534572
loop_
_publ_author_name
'Schiwy, W.'
'Blutau, C.'
'Gaethje, D.'
'Krebs, B.'
_publ_section_title
;
 Darstellung und Struktur von K2 Sn S3 (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1
_journal_page_last               10
_journal_volume                  412
_journal_year                    1975
_chemical_formula_sum            'H4 K2 O2 S3 Sn'
_chemical_name_systematic        'K2 Sn S3 (H2 O)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.429
_cell_length_b                   15.621
_cell_length_c                   10.569
_cell_volume                     1061.417
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schiwy_ZAACAB_1975_592.cif
_cod_data_source_block           H4K2O2S3Sn1
_cod_original_formula_sum        'H4 K2 O2 S3 Sn1'
_cod_database_code               1534572
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Sn1 Sn+4 0.00548 0.25 0.13859 1 0.0
O2 O-2 0.2944 0.3635 -0.1717 0.5 0.0
S2 S-2 -0.08539 0.37678 0.03342 1 0.0
K1 K+1 0.38516 0.75 0.13886 1 0.0
K2 K+1 0 0.5 0.5 1 0.0
H1 H+1 0.175 0.445 0.17 0.5 0.0
H2 H+1 0.31 0.455 0.264 0.5 0.0
H3 H+1 0.17 0.355 -0.115 0.5 0.0
O1 O-2 0.2445 0.4793 0.2096 0.5 0.0
H4 H+1 0.276 0.417 -0.22 0.5 0.0
S1 S-2 0.38768 0.25 0.14423 1 0.0
