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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/1/54/01/1540167.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_1540167
loop_
_publ_author_name
'Jansen, M.'
'Rehr, A.'
_publ_section_title
;
 Na2H3IO6, eine Variante der Markasitstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              95
_journal_page_last               100
_journal_volume                  567
_journal_year                    1988
_chemical_formula_sum            'H3 I Na2 O6'
_chemical_name_systematic        'Na2 (H3 I O6)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.697
_cell_length_b                   5.299
_cell_length_c                   10.052
_cell_volume                     250.188
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jansen_ZAACAB_1988_1461.cif
_cod_data_source_block           H3I1Na2O6
_cod_original_cell_volume        250.1883
_cod_original_formula_sum        'H3 I1 Na2 O6'
_cod_database_code               1540167
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
I1 I+7 0.5 0.5 0.5 1 0.0
Na1 Na+1 0 0 0.335 1 0.0
O1 O-2 0.2469 0.3903 0.6376 1 0.0
O2 O-2 0.1758 0.3247 0 1 0.0
