#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521020.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_1521020
loop_
_publ_author_name
'Fir, B.A.'
'Schrobilgen, G.J.D.'
'Pointner, B.E.'
'Mercier, H.P.A.'
'Gerken, M.'
'Dixon, D.A.'
_publ_section_title
;
 An X-ray crystallographic study of (Xe2 F3) (Sb F6) and dimorphism in
 (Xe2 F3) (As F6): and a density functional theory study of the (Xe2
 F3)(+) cation
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              159
_journal_page_last               167
_journal_volume                  105
_journal_year                    2000
_chemical_formula_sum            'As F9 Xe2'
_chemical_name_systematic        '(Xe2 F3) (As F6)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.602
_cell_length_b                   8.602
_cell_length_c                   10.665
_cell_volume                     683.424
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Fir_JFLCAR_2000_1532.cif
_cod_data_source_block           As1F9Xe2
_cod_original_cell_volume        683.4243
_cod_original_formula_sum        'As1 F9 Xe2'
_cod_database_code               1521020
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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
Xe1 Xe+2 0.3925 0.2188 0.7825 1 0.0
F1 F-1 0.201 -0.028 0.7063 0.5 0.0
F9 F-1 0.7762 0.2561 0.8881 0.3 0.0
F7 F-1 -0.0588 0.1822 0.7378 0.3 0.0
F5 F-1 0.7729 0.2476 0.7913 0.7 0.0
F2 F-1 0.5471 0.4185 0.8854 1 0.0
F8 F-1 -0.0518 0.4724 0.7233 0.3 0.0
F6 F-1 0.0757 0.4062 0.6828 0.7 0.0
F4 F-1 0 0.1631 0.8333 0.7 0.0
As1 As+5 0 0.363 0.8333 1 0.0
F3 F-1 0 0.5689 0.8333 0.7 0.0
