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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011185.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_1011185
_chemical_name_systematic
;
Octasodium tecto-hexaalumohexasilicate dichloride
;
_chemical_name_mineral             'Sodalite'
_chemical_compound_source          'from Bancroft, Ontario'
_chemical_formula_structural       'Na8 (Al6 Si6 O24) Cl2'
_chemical_formula_sum              'Al6 Cl2 Na8 O24 Si6'
_publ_section_title                'The structure of sodalite and helvite'
loop_
_publ_author_name                  'Pauling, L'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    74
_journal_year                      1930
_journal_page_first                213
_journal_page_last                 225
_cell_length_a                     8.87
_cell_length_b                     8.87
_cell_length_c                     8.87
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       697.9
_cell_formula_units_Z              1
_exptl_crystal_density_meas        2.3
_symmetry_space_group_name_H-M     'P -4 3 n'
_symmetry_Int_Tables_number        218
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '1/2+x,1/2+z,1/2+y'
  '1/2+y,1/2+x,1/2+z'
  '1/2+z,1/2+y,1/2+x'
  '1/2-x,1/2-z,1/2+y'
  '1/2-y,1/2-x,1/2+z'
  '1/2-z,1/2-y,1/2+x'
  '1/2+x,1/2-z,1/2-y'
  '1/2+y,1/2-x,1/2-z'
  '1/2+z,1/2-y,1/2-x'
  '1/2-x,1/2+z,1/2-y'
  '1/2-y,1/2+x,1/2-z'
  '1/2-z,1/2+y,1/2-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cl1-  -1.000
  Na1+   1.000
  Si4+   4.000
  Al3+   3.000
  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
  Cl1   Cl1-   2 a 0. 0. 0. 1.  0 d
  Na1   Na1+   8 e 0.175 0.175 0.175 1.  0 d
  Si1   Si4+   6 d 0.25 0. 0.5 1.  0 d
  Al1   Al3+   6 c 0.25 0.5 0. 1.  0 d
  O1    O2-   24 i 0.135 0.44 0.15 1.  0 d
_cod_database_code 1011185