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#$Date: 2016-12-13 12:51:07 +0200 (Tue, 13 Dec 2016) $
#$Revision: 189099 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542179.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_1542179
loop_
_publ_author_name
'Tkachev, V.V.'
'Krasochka, O.N.'
'Atovmyan, L.O.'
_publ_section_title
;
 On the Structure of the Crystals K (Os N Br4 H2 O) H2 O and K2 Mo O Cl5
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              940
_journal_page_last               941
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Br4 H4 K N O2 Os'
_chemical_name_systematic        'K Os H2 O N Br4 H2 O'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.558
_cell_length_b                   13.62
_cell_length_c                   7.518
_cell_volume                     978.693
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Tkachev_ZSTKAI_1976_577.cif
_cod_data_source_block           H4Br4K1N1O2Os1
_cod_original_cell_volume        978.6929
_cod_original_formula_sum        'H4 Br4 K1 N1 O2 Os1'
_cod_database_code               1542179
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
_atom_site_attached_hydrogens
Os1 Os+6 0 0.1654 0 1 0.0 0
N1 N-3 0 0.172 -0.222 1 0.0 0
O2 O-2 0.5 0.038 0.302 1 0.0 2
O1 O-2 0 0.149 0.321 1 0.0 2
Br2 Br-1 0.1837 0.2883 0.0741 1 0.0 0
K1 K+1 0.5 0.1498 0.959 1 0.0 0
Br1 Br-1 0.1816 0.0363 0.0329 1 0.0 0
