#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/87/1008753.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_1008753
_chemical_name_systematic          'Potassium trisodium tetraaluminium silicate'
_chemical_name_mineral             'Nepheline'
_chemical_formula_structural       'K Na3 Al4 Si4 O16'
_chemical_formula_sum              'Al4 K Na3 O16 Si4'
_publ_section_title
;
Determination of the crystal structure of nepheline
;
loop_
_publ_author_name
  'Buerger, M J'
  'Klein, G E'
  'Donnay, G'
_journal_name_full                 'American Mineralogist'
_journal_coden_ASTM                AMMIAY
_journal_volume                    39
_journal_year                      1954
_journal_page_first                805
_journal_page_last                 818
_cell_length_a                     10.01
_cell_length_b                     10.01
_cell_length_c                     8.405
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       729.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  Al3+   3.000
  Si4+   4.000
  O2-   -2.000
  Na1+   1.000
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
  K1    K1+    2 a 0. 0. 0. 1.  0 d
  Al1   Al3+   2 b 0.3333 0.6667 0.18 1.  0 d
  Si1   Si4+   2 b 0.3333 0.6667 0.82 1.  0 d
  O1    O2-    2 b 0.3333 0.6667 0. 1.  0 d
  Na1   Na1+   6 c 0.008 0.432 0. 1.  0 d
  Al2   Al3+   6 c 0.092 0.33 0.67 1.  0 d
  Si2   Si4+   6 c 0.092 0.33 0.33 1.  0 d
  O2    O2-    6 c 0.02 0.33 0.5 1.  0 d
  O3    O2-    6 c 0.18 0.5 0.75 1.  0 d
  O4    O2-    6 c 0.17 0.53 0.25 1.  0 d
  O5    O2-    6 c 0.23 0.28 0.25 1.  0 d
  O6    O2-    6 c 0.23 0.28 0.75 1.  0 d
_cod_database_code 1008753