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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/8/10/40/8104006.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_8104006
loop_
_publ_author_name
'Burnus, R.'
'Hinz, D.J.'
'Meyer, G.'
_publ_section_title
;
 Crystal structure of sodium tetraiodoaluminate (III), NaAlI4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              544
_journal_page_last               544
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Al I4 Na'
_chemical_name_systematic        'Na (Al I4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.051
_cell_length_b                   8.13
_cell_length_c                   8.098
_cell_volume                     990.909
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Burnus_ZEKRDZ_1994_1630.cif
_cod_data_source_block           Al1I4Na1
_cod_original_cell_volume        990.9087
_cod_original_formula_sum        'Al1 I4 Na1'
_cod_database_code               8104006
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Na1 Na+1 0.1495 0.25 0.4445 1 0.0
I3 I-1 0.19913 -0.00107 0.76167 1 0.0
I2 I-1 0.44455 0.25 0.8996 1 0.0
I1 I-1 0.03327 0.25 0.1184 1 0.0
Al1 Al+3 0.8977 0.25 0.2998 1 0.0
