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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/2/10/64/2106487.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_2106487
loop_
_publ_author_name
'Boysen, H.'
'Hewat, A.W.'
_publ_section_title
;
 A neutron powder investigation of the structural changes in K2 Sn Cl6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1412
_journal_page_last               1418
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cl6 K2 Sn'
_chemical_name_systematic        'K2 (Sn Cl6)'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0577
_cell_length_b                   7.0577
_cell_length_c                   9.9784
_cell_volume                     497.035
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Boysen_ACBCAR_1978_233.cif
_cod_data_source_block           Cl6K2Sn1
_cod_original_cell_volume        497.0354
_cod_original_formula_sum        'Cl6 K2 Sn1'
_cod_database_code               2106487
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z-1/2
-y-1/2,-x-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
y-1/2,x-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
Cl2 Cl-1 0 0 0.2523 1 0.0
Cl1 Cl-1 0.2511 0.2217 0 1 0.0
K1 K+1 0.5 0 0.25 1 0.0
Sn1 Sn+4 0 0 0 1 0.0
