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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/2/31/04/2310430.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_2310430
loop_
_publ_author_name
'Kruse, F.H.'
_publ_section_title
;
 Potassium osmyl chloride - refinement of the crystal structure
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1035
_journal_page_last               1041
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Cl4 K2 O2 Os'
_chemical_name_systematic        'K2 Os O2 Cl4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.991
_cell_length_b                   6.991
_cell_length_c                   8.752
_cell_volume                     427.746
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kruse_ACCRA9_1961_1467.cif
_cod_data_source_block           Cl4K2O2Os1
_cod_original_formula_sum        'Cl4 K2 O2 Os1'
_cod_database_code               2310430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-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+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+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+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
K1 K+1 0 0.5 0.25 1 0.0
Os1 Os+6 0 0 0 1 0.0
O1 O-2 0 0 0.1999 1 0.0
Cl1 Cl-1 0.2406 0.2406 0 1 0.0
