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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/69/1536944.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_1536944
loop_
_publ_author_name
'Fir, B.A.'
'Schrobilgen, G.J.D.'
'Mercier, H.P.A.'
'Dixon, D.A.'
'Sanders, J.C.P.'
_publ_section_title
;
 Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As
 F6) (Ch = Se, Te)
;
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              89
_journal_page_last               107
_journal_volume                  110
_journal_year                    2001
_chemical_formula_sum            'F10 O2 Te2 Xe'
_chemical_name_systematic        'Xe (O Te F5)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.599
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.289
_cell_length_b                   9.6052
_cell_length_c                   10.478
_cell_volume                     992.366
_citation_journal_id_ASTM        JFLCAR
_cod_data_source_file            Fir_JFLCAR_2001_179.cif
_cod_data_source_block           F10O2Te2Xe1
_cod_original_cell_volume        992.3661
_cod_original_formula_sum        'F10 O2 Te2 Xe1'
_cod_database_code               1536944
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O1 O-2 0.6781 0.8804 0.0727 1 0.0
F9 F-1 0.9243 0.0843 0.2735 1 0.0
Xe2 Xe+2 0 0.5 0.5 1 0.0
Te1 Te+6 0.67609 0.7147 0.16062 1 0.0
F6 F-1 0.7067 0.0626 0.3414 1 0.0
O2 O-2 0.9517 0.3449 0.3499 1 0.0
F4 F-1 0.787 0.6347 0.0731 1 0.0
Xe1 Xe+2 0.5 0 0 1 0.0
F3 F-1 0.8281 0.7637 0.2962 1 0.0
F8 F-1 0.7244 0.2559 0.182 1 0.0
Te2 Te+6 0.83026 0.2037 0.34942 1 0.0
F10 F-1 0.7291 0.3169 0.4274 1 0.0
F2 F-1 0.5248 0.6532 0.0341 1 0.0
F5 F-1 0.5665 0.7833 0.2568 1 0.0
F1 F-1 0.678 0.5472 0.2493 1 0.0
F7 F-1 0.9208 0.1383 0.5156 1 0.0
