#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000064.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_9000064
loop_
_publ_author_name
'Buerger, M. J.'
'Klein, G. E.'
'Donnay, G.'
_publ_section_title
;
 Determination of the crystal structure of nepheline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              805
_journal_page_last               818
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Al4 K Na3 O16 Si4'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.01
_cell_length_b                   10.01
_cell_length_c                   8.405
_cell_volume                     729.351
_exptl_crystal_density_diffrn    2.661
_[local]_cod_chemical_formula_sum_orig 'K Na3 Si4 Al4 O16'
_cod_database_code               9000064
_amcsd_database_code             AMCSD#0000066
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.00000 0.00000 0.00000
Na 0.00800 0.43200 0.00000
Si1 0.33333 0.66667 0.82000
Al1 0.33333 0.66667 0.18000
Si2 0.09200 0.33000 0.33333
Al2 0.09200 0.33000 0.66667
O1 0.33333 0.66667 0.00000
O2 0.02000 0.33000 0.50000
O3 0.18000 0.50000 0.75000
O4 0.17000 0.53000 0.25000
O5 0.23000 0.28000 0.25000
O6 0.23000 0.28000 0.75000