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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/47/4124706.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_4124706
loop_
_publ_author_name
'Zalkin, A.'
'Forrester, J.D.'
'Williamson, S.M.'
'Templeton, D.H.'
'Koch, C.W.'
_publ_section_title
;
 Potassium perxenate nonahydrate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3569
_journal_page_last               3571
_journal_volume                  86
_journal_year                    1964
_chemical_formula_sum            'H18 K4 O15 Xe'
_chemical_name_systematic        'K4 Xe O6 (H2 O)9'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2b'
_symmetry_space_group_name_H-M   'P b c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.049
_cell_length_b                   10.924
_cell_length_c                   15.606
_cell_volume                     1542.673
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Zalkin_JACSAT_1964_1472.cif
_cod_data_source_block           H18K4O15Xe1
_cod_original_sg_symbol_Hall     'P 2c -2ac (y,-x,z)'
_cod_original_formula_sum        'H18 K4 O15 Xe1'
_cod_database_code               4124706
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,z+1/2
-x,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_occupancy
_atom_site_U_iso_or_equiv
O9 O-2 0.873 0.829 0.369 1 0.0
O8 O-2 0.85 0.136 0.297 1 0.0
O2 O-2 0.094 0.878 0.253 1 0.0
O15 O-2 0.606 0.15 0.124 1 0.0
O13 O-2 0.376 0.47 0.002 1 0.0
O1 O-2 0.403 0.101 0.251 1 0.0
O4 O-2 0.176 0.058 0.151 1 0.0
K4 K+1 0.877 0.989 0.139 1 0.0
O5 O-2 0.323 0.918 0.351 1 0.0
O6 O-2 0.36 0.881 0.188 1 0.0
O7 O-2 0.654 0.839 0.19 1 0.0
Xe1 Xe+8 0.249 0.988 0.25 1 0.0
O10 O-2 0.692 0.046 0.506 1 0.0
O12 O-2 0.967 0.98 0.972 1 0.0
O3 O-2 0.138 0.096 0.316 1 0.0
O11 O-2 0.997 0.243 0.111 1 0.0
K1 K+1 0.628 0.987 0.339 1 0.0
O14 O-2 0.493 0.262 0.886 1 0.0
K2 K+1 0.846 0.238 0.958 1 0.0
K3 K+1 0.307 0.227 0.026 1 0.0
