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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/12/4031243.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_4031243
loop_
_publ_author_name
'Kamenar, B.'
'Grdenic, D.'
_publ_section_title
;
 The crystal structure of potassium chloride trichlorostannite hydrate, K
 Cl K Sn Cl3 H2 O
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1039
_journal_page_last               1045
_journal_volume                  24
_journal_year                    1962
_chemical_formula_sum            'Cl4 H2 K2 O Sn'
_chemical_name_systematic        'K2 (Sn Cl3) Cl (H2 O)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.24
_cell_length_b                   12.05
_cell_length_c                   9.14
_cell_volume                     907.529
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kamenar_JINCAO_1962_1004.cif
_cod_data_source_block           H2Cl4K2O1Sn1
_cod_original_cell_volume        907.5289
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H2 Cl4 K2 O1 Sn1'
_cod_database_code               4031243
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
O1 O-2 0.441 0.04 0.75 1 0.0
Cl3 Cl-1 0.099 0.266 0.75 1 0.0
Cl2 Cl-1 0.207 -0.056 0.448 1 0.0
Sn1 Sn+2 0 -0.012 0.25 1 0.0
Cl1 Cl-1 0.112 0.192 0.25 1 0.0
K1 K+1 0.37 0.185 -0.018 1 0.0
