#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535476.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_1535476
loop_
_publ_author_name
'Mogare, K.M.'
'Jansen, M.'
'Klein, W.'
_publ_section_title
;
 Synthesis and crystal structure of potassium osmate(VIII), K2 Os O5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              468
_journal_page_last               471
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'K2 O5 Os'
_chemical_name_systematic        'K2 Os O5'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.773
_cell_length_b                   10.773
_cell_length_c                   8.1453
_cell_volume                     818.674
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mogare_ZAACAB_2005_892.cif
_cod_data_source_block           K2O5Os1
_cod_original_formula_sum        'K2 O5 Os1'
_cod_database_code               1535476
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-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
O2 O-2 0.3963 -0.1288 0.5 1 0.0
K2 K+1 0.3333 0.6667 0.2521 1 0.0
K3 K+1 0.6667 0.3333 0.2445 1 0.0
O4 O-2 0.2135 -0.119 0.3184 1 0.0
Os2 Os+8 0.36872 0.33333 0 1 0.0
Os1 Os+8 0.30213 -0.03121 0.5 1 0.0
O1 O-2 0.2036 0.0599 0.5 1 0.0
K4 K+1 0.2981 -0.0351 0 1 0.0
K5 K+1 0.3648 0.3333 0.5 1 0.0
O6 O-2 0.5551 0.4276 0 0.501 0.0
O8 O-2 0.3743 0.2426 0.1879 0.501 0.0
O3 O-2 0.4675 0.1344 0.5 1 0.0
K1 K+1 0 0 0.2528 1 0.0
O9 O-2 0.4619 0.243 0 0.499 0.0
O7 O-2 0.3242 0.4713 0 1 0.0
O5 O-2 0.1869 0.1969 0 1 0.0
O10 O-2 0.4653 0.4261 0.187 0.499 0.0
