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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/06/1010629.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_1010629
loop_
_publ_author_name
'Hoard, J L'
'Grenko, J D'
_publ_section_title
;
The crystal structure of potassium osmyl chloride K~2~ Os O~2~ Cl~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              100
_journal_page_last               109
_journal_volume                  87
_journal_year                    1934
_chemical_formula_structural     'K2 Os O2 Cl4'
_chemical_formula_sum            'Cl4 K2 O2 Os'
_chemical_name_systematic        'Dipotassium dioxoosmium(VI) chloride'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   6.99
_cell_length_b                   6.99
_cell_length_c                   8.75
_cell_volume                     427.5
_cod_database_code               1010629
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Os1 Os6+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 4 e 0. 0. 0.212(10) 1. 0 d
K1 K1+ 4 d 0. 0.5 0.25 1. 0 d
Cl1 Cl1- 8 h 0.230(5) 0.230(5) 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Os6+ 6.000
O2- -2.000
K1+ 1.000
Cl1- -1.000