#------------------------------------------------------------------------------
#$Date: 2021-10-19 02:04:42 +0300 (Tue, 19 Oct 2021) $
#$Revision: 270013 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/49/1564991.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_1564991
loop_
_publ_author_name
'Sanloup, Chryst\`ele'
'Bonev, Stanimir A.'
'Hochlaf, Majdi'
'Maynard-Casely, Helen E.'
_publ_section_title
;
 Reactivity of Xenon with Ice at Planetary Conditions
;
_journal_issue                   26
_journal_name_full               'Physical Review Letters'
_journal_paper_doi               10.1103/PhysRevLett.110.265501
_journal_volume                  110
_journal_year                    2013
_chemical_formula_sum            'H12 O12 Xe4'
_chemical_formula_weight         729.19
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.0539(3)
_cell_length_b                   5.0539(3)
_cell_length_c                   8.210(1)
_cell_volume                     181.60(3)
_exptl_crystal_density_diffrn    6.666
_exptl_crystal_description       powder
_journal_article_reference       265501
_cod_data_source_file            Xe4O12H12.cif
_cod_data_source_block           Xe4O12H12
_cod_original_sg_symbol_Hall     'P 63/m m c'
_cod_original_formula_sum        Xe4O12H12
_cod_database_code               1564991
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'y, -x+y, z+1/2'
'-y, x-y, -z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, -z+1/2'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'-y, -x, -z+1/2'
'y, x, z+1/2'
'-x+y, y, -z+1/2'
'x-y, -y, z+1/2'
'x, x-y, -z+1/2'
'-x, -x+y, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Xe1 1.0 0.333333 0.666667 0.0710(10) Biso 1.000000 Xe
O1 1.0 0.157(2) 0.314(3) 0.622(2) Biso 1.000000 O
H1 1.0 0.943(2) 0.289(4) 0.250000 Biso 1.000000 H