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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/1/53/66/1536687.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_1536687
loop_
_publ_author_name
'Ellern, A.M.'
'Sharabarin, A.V.'
'Sinitsyn, N.M.'
'Antipin, M.Yu.'
'Struchkov, Yu.T.'
_publ_section_title
;
 Synthesis and structure of hexafluoroosmate difluorochloronium ClF2OsF6
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1686
_journal_page_last               1688
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Cl F8 Os'
_chemical_name_systematic        '(Cl F2) (Os F6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 89.91
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.998
_cell_length_b                   5.146
_cell_length_c                   5.658
_cell_volume                     145.522
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Ellern_KOKHDC_1991_1233.cif
_cod_data_source_block           Cl1F8Os1
_cod_original_cell_volume        145.5219
_cod_original_formula_sum        'Cl1 F8 Os1'
_cod_database_code               1536687
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
Os1 Os+5 0.5 0.5 0.5 1 0.0
F2 F-1 0.2961 0.3515 0.2726 1 0.0
F3 F-1 0.2909 0.3405 0.726 1 0.0
F4 F-1 0.1931 -0.144 -0.014 1 0.0
Cl1 Cl+3 0.0006 -0.0031 0.1118 0.5 0.0
F1 F-1 0.2748 0.7887 0.525 1 0.0
