#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/03/4300391.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_4300391
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0510260
_journal_year                    2006
_chemical_formula_sum            'As F7 O2 Xe'
_chemical_formula_weight         371.22
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.658(6)
_cell_length_b                   8.699(6)
_cell_length_c                   8.916(6)
_cell_measurement_temperature    100(2)
_cell_volume                     671.5(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    3.672
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4300391
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Xe1 Xe 0.97513(10) 0.43752(10) 0.54388(10) 0.0226(2) Uani 1 1 d . . .
As1 As 0.86811(18) 0.87252(16) 0.39083(15) 0.0190(3) Uani 1 1 d . . .
F5 F 0.8639(10) 0.8652(9) 0.1945(8) 0.0287(18) Uani 1 1 d . . .
F6 F 0.7796(9) 1.0512(8) 0.3825(9) 0.0284(18) Uani 1 1 d . . .
O/F2 O 1.0147(12) 0.2481(9) 0.6036(10) 0.036(2) Uani 0.50 1 d P . .
F/O2 F 1.0147(12) 0.2481(9) 0.6036(10) 0.036(2) Uani 0.50 1 d P . .
F4 F 1.0453(8) 0.9563(8) 0.3818(9) 0.0300(18) Uani 1 1 d . . .
F3 F 0.8671(11) 0.8757(9) 0.5809(9) 0.038(2) Uani 1 1 d . . .
F2 F 0.9493(9) 0.6897(7) 0.3890(9) 0.0264(19) Uani 1 1 d . . .
O1 O 0.8924(12) 0.5175(10) 0.7036(11) 0.031(2) Uani 1 1 d . . .
F/O3 F 0.8088(9) 0.4002(9) 0.4328(10) 0.030(2) Uani 0.50 1 d P . .
O/F3 O 0.8088(9) 0.4002(9) 0.4328(10) 0.030(2) Uani 0.50 1 d P . .
F1 F 0.6867(9) 0.7952(9) 0.3887(9) 0.0304(19) Uani 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Xe1 O1 1.740(10) . ?
Xe1 O/F2 1.765(8) . ?
Xe1 F/O3 1.777(8) . ?
Xe1 F2 2.602(7) . ?
Xe1 F5 2.618(8) 3_745 ?
As1 F3 1.695(9) . ?
As1 F4 1.701(8) . ?
As1 F1 1.709(8) . ?
As1 F6 1.735(7) . ?
As1 F2 1.739(6) . ?
As1 F5 1.752(8) . ?
F5 Xe1 2.618(8) 3_755 ?
