#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007749.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007749
loop_
_publ_author_name
'Sabrowsky, H.'
'Hippler, K.'
'Sitta, S.'
'Vogt, P.'
'Walz, L.'
_publ_section_title
;
 Structure of Na4OI2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              368
_journal_page_last               369
_journal_paper_doi               10.1107/S0108270189007912
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na4OI2
_chemical_formula_sum            'I2 Na4 O'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.655
_cell_length_b                   4.655
_cell_length_c                   15.940
_cell_formula_units_Z            2
_cell_volume                     345.404
_database_code_amcsd             0010109
_exptl_crystal_density_diffrn    3.478
_cod_original_formula_sum        'Na4 O I2'
_cod_database_code               9007749
_amcsd_formula_title             Na4OI2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.00000 0.50000 0.00000 0.02500
Na2 0.00000 0.00000 0.14290 0.02720
O1 0.00000 0.00000 0.00000 0.01870
I1 0.00000 0.00000 0.34670 0.02030
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010109
