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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106357.cif $
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#
# 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_2106357
loop_
_publ_author_name
'Kalman, A.'
'Cruickshank, D.W.J.'
_publ_section_title
;
 Refinement of the Structure of Na I O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1782
_journal_page_last               1785
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'I Na O4'
_chemical_name_systematic        'Na I O4'
_space_group_IT_number           88
_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                   5.337
_cell_length_b                   5.337
_cell_length_c                   11.947
_cell_volume                     340.293
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kalman_ACBCAR_1970_1045.cif
_cod_data_source_block           I1Na1O4
_cod_original_cell_volume        340.2932
_cod_original_sg_symbol_Hall     '-I 4ad (x,y+1/4,z+1/8)'
_cod_original_formula_sum        'I1 Na1 O4'
_cod_database_code               2106357
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-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
I1 I+7 0 0 0 1 0.0
Na1 Na+1 0 0 0.5 1 0.0
O1 O-2 -0.2341 0.1501 0.0806 1 0.0