#------------------------------------------------------------------------------
#$Date: 2016-12-06 11:22:58 +0200 (Tue, 06 Dec 2016) $
#$Revision: 188972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010016.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_1010016
loop_
_publ_author_name
'Hazlewood, E. A.'
_publ_section_title
;
 A Determination of the Oxygen Parameters for NaIO₄
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift für Kristallographie - Crystalline Materials
;
_journal_page_first              439
_journal_page_last               446
_journal_paper_doi               10.1524/zkri.1938.98.1.439
_journal_volume                  98
_journal_year                    1938
_chemical_formula_structural     'Na I O4'
_chemical_formula_sum            'I Na O4'
_chemical_name_systematic        'Sodium iodate(VII)'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3222(4)
_cell_length_b                   5.3222
_cell_length_c                   11.93
_cell_volume                     337.9
_cod_depositor_comments
;
 Switching the coordinates of atoms 'I1' and 'Na1' after consulting the
 original publication.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'I 41/a S'
_cod_database_code               1010016
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,1/2+y,1/4-z
-x,1/2-y,1/4-z
-y,x,-z
y,-x,-z
-y,1/2+x,1/4+z
y,1/2-x,1/4+z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+x,y,3/4-z
1/2-x,-y,3/4-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,x,3/4+z
1/2+y,-x,3/4+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
I1 I7+ 4 a 0. 0. 0. 1. 0 d
Na1 Na1+ 4 b 0. 0. 0.5 1. 0 d
O1 O2- 16 f 0.22 0.159 0.089(5) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
I7+ 7.000
O2- -2.000
