#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/09/1010957.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_1010957
_chemical_name_systematic          'Sodium aluminium silicate'
_chemical_name_mineral             'Carnegieite '
_chemical_compound_source          'alpha - artificial'
_chemical_formula_structural       'Na Al Si O4'
_chemical_formula_sum              'Al Na O4 Si'
_publ_section_title
;
Silicate structures of the cristobalite type. The crystal structure of
$-alpha-carnegieite (Na Al Si O4)
;
loop_
_publ_author_name
  'Barth, F W'
  'Posnjak, E'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    81
_journal_year                      1932
_journal_page_first                135
_journal_page_last                 141
_cell_length_a                     7.37
_cell_length_b                     7.37
_cell_length_c                     7.37
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       400.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_Int_Tables_number        198
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Al3+   3.000
  Si4+   4.000
  O2-   -2.000
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
  Na1   Na1+   4 a 0.744 0.744 0.744 1.  0 d
  Al1   Al3+   4 a 0.258 0.258 0.258 1.  0 d
  Si1   Si4+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    4 a 0.125 0.125 0.125 1.  0 d
  O2    O2-   12 b 0.658 0.644 0.0556 1.  0 d
_cod_database_code 1010957