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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535334.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_1535334
loop_
_publ_author_name
'Mikhailov, Yu.N.'
'Kanishcheva, A.S.'
'Svetlov, A.A.'
_publ_section_title
;
 Synthesis and crystal structure of compounds M2 (Os N O (N O2)2 Cl3) *
 n(H2 O)
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              537
_journal_page_last               541
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Cl3 K2 N3 O5 Os'
_chemical_name_systematic        'K2 (Os (N O) (N O2)2 Cl3)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.4
_cell_angle_beta                 102.7
_cell_angle_gamma                90.6
_cell_formula_units_Z            2
_cell_length_a                   6.943
_cell_length_b                   7.573
_cell_length_c                   10.26
_cell_volume                     526.213
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Mikhailov_KOKHDC_1991_1134.cif
_cod_data_source_block           Cl3K2N3O5Os1
_cod_original_cell_volume        526.2131
_cod_original_formula_sum        'Cl3 K2 N3 O5 Os1'
_cod_database_code               1535334
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
O4 O-2 0.37 0.569 0.2782 1 0.0
Cl1 Cl-1 0.2865 0.2675 0.4608 1 0.0
K1 K+1 0.6109 0.7535 0.1295 1 0.0
N3 N+3 0.303 0.4509 0.1972 1 0.0
O5 O-2 0.345 0.458 0.0857 1 0.0
Cl3 Cl-1 -0.101 0.4692 0.2886 1 0.0
O1 O-2 -0.054 0.236 -0.0473 1 0.0
K2 K+1 0.2338 0.7512 0.4767 1 0.0
Os1 Os+3 0.1206 0.2526 0.2378 1 0.0
O2 O-2 0.402 -0.038 0.293 1 0.0
Cl2 Cl-1 -0.0813 0.0238 0.2977 1 0.0
N1 N+2 0.007 0.245 0.0675 1 0.0
O3 O-2 0.362 0.05 0.0935 1 0.0
N2 N+3 0.323 0.0681 0.207 1 0.0
