#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/4/34/43/4344373.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_4344373
loop_
_publ_author_name
'Zalkin, A.'
'Forrester, J.D.'
'Templeton, D.H.'
_publ_section_title
;
 The Crystal Structure of Sodium Perxenate Hexahydrate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1417
_journal_page_last               1421
_journal_volume                  3
_journal_year                    1964
_chemical_formula_sum            'H12 Na4 O12 Xe'
_chemical_name_systematic        'Na4 Xe O6 (H2 O)6'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.44
_cell_length_b                   10.103
_cell_length_c                   5.875
_cell_volume                     1094.509
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Zalkin_INOCAJ_1964_1953.cif
_cod_data_source_block           H12Na4O12Xe1
_cod_original_formula_sum        'H12 Na4 O12 Xe1'
_cod_database_code               4344373
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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
O3 O-2 0.951 0.136 0.127 1 0.0
O5 O-2 0.34 0.183 0.835 1 0.0
O1 O-2 0.06 0.004 0.253 1 0.0
Na1 Na+1 0.009 0.164 0.492 1 0.0
O2 O-2 0.064 0.115 0.854 1 0.0
Na2 Na+1 0.252 0.155 0.539 1 0.0
O4 O-2 0.169 0.2 0.242 1 0.0
O6 O-2 0.192 0.518 0.242 1 0.0
Xe1 Xe+8 0 0 0 1 0.0
