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#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208360 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/02/2000298.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000298
loop_
_publ_author_name
'Kellersohn, T.'
_publ_section_title
;
 Structure of potassium sodium orthoperiodate(VII) tetrahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1133
_journal_page_last               1136
_journal_paper_doi               10.1107/S0108270190013269
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'H10 I K2 Na O10'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                97.607(5)
_cell_angle_beta                 108.002(5)
_cell_angle_gamma                93.935(6)
_cell_formula_units_Z            2
_cell_length_a                   6.7201(5)
_cell_length_b                   7.3601(4)
_cell_length_c                   10.7671(6)
_cell_volume                     498.62(6)
_diffrn_radiation_type           mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.0838
_exptl_crystal_density_diffrn    2.652
_exptl_crystal_F_000             384
_cod_data_source_file            ab0172.cif
_cod_data_source_block           ab0172a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        498.62
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'K2 Na1 I1 O10 H10'
_cod_database_code               2000298
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
I .139270(10) .181590(10) .246710(10) .9430(10)
K1 .37746(8) .65452(6) .37756(4) 2.393(7)
K2 .43226(6) .68775(6) .85359(4) 2.159(6)
Na .22080(11) .18658(10) .76637(7) 1.790(10)
O1 -.1460(2) .0718(2) .13350(10) 1.50(2)
O2 .1386(2) -.0470(2) .32570(10) 1.47(2)
O3 .0005(2) .2778(2) .36060(10) 1.60(2)
O4 .2402(2) .0531(2) .12500(10) 1.45(2)
O5 .1227(2) .3865(2) .16520(10) 1.83(2)
O6 .4019(2) .2650(2) .36400(10) 1.56(2)
O7 .4129(2) .7421(2) .1376(2) 2.16(2)
O8 .1871(3) .4074(2) .62410(10) 2.42(3)
O9 .2919(2) .9638(2) .59920(10) 2.01(2)
O10 .1861(2) .4169(2) .93320(10) 2.19(2)
H11 -.142(5) .026(5) .053(3) 2.5
H21 .191(5) -.003(5) .405(3) 2.5
H71 .357(5) .834(5) .135(3) 2.5
H72 .346(5) .663(5) .098(3) 2.5
H81 .122(5) .494(5) .624(3) 2.5
H82 .144(5) .360(5) .542(3) 2.5
H91 .396(5) .899(5) .614(3) 2.5
H92 .212(5) .897(5) .607(3) 2.5
H101 .076(5) .469(5) .888(3) 2.5
H102 .156(5) .377(5) .998(3) 2.5
