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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530924.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_1530924
loop_
_publ_author_name
'Udovenko, A.A.'
'Volkova, L.M.'
'Zemnukhova, L.A.'
'Davidovich, R.L.'
_publ_section_title
;
 Crystal structure of cesium trinitratohexafluorodiantimonate(III) Cs3 Sb2
 F6 (N O3)3
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              595
_journal_page_last               597
_journal_volume                  5
_journal_year                    1979
_chemical_formula_sum            'Cs3 F6 N3 O9 Sb2'
_chemical_name_systematic        'Cs3 Sb2 F6 (N O3)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.17
_cell_formula_units_Z            4
_cell_length_a                   22.243
_cell_length_b                   9.883
_cell_length_c                   7.602
_cell_volume                     1671.122
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Udovenko_KOKHDC_1979_538.cif
_cod_data_source_block           Cs3F6N3O9Sb2
_cod_original_sg_symbol_Hall     '-C 2yc (-x,z,y)'
_cod_database_code               1530924
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
-x,-y,-z
x,y-1/2,-z
x+1/2,y,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,-y,-z+1/2
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
N2 N+5 0 0.75 -0.12 1 0.0
O1 O-2 0.2133 0.907 0.049 1 0.0
F2 F-1 0.1816 0.659 0.294 1 0.0
F1 F-1 0.0896 0.526 0.169 1 0.0
O3 O-2 0.1518 0.963 0.263 1 0.0
O4 O-2 0 0.75 0.058 1 0.0
Cs1 Cs+1 0.18753 0.8401 0.6317 1 0.0
Sb1 Sb+3 0.11392 0.7158 0.1507 1 0.0
O2 O-2 0.1921 0.116 0.095 1 0.0
N1 N+5 0.1856 0.999 0.134 1 0.0
F3 F-1 0.0724 0.75 0.375 1 0.0
O5 O-2 -0.0443 0.789 -0.197 1 0.0
Cs2 Cs+1 0 0.5 0.5 1 0.0
