data_9003331
_chemical_name 'Sodalite'
loop_
_publ_author_name
'Hassan I'
'Antao S M'
'Parise J B'
_journal_name_full "American Mineralogist"
_journal_volume 89
_journal_year 2004
_journal_page_first 359
_journal_page_last 364
_publ_section_title
;
 Sodalite: High-temperature structures obtained from synchrotron radiation
 and Rietveld refinements
 Sample: T = 982 C
;
_chemical_formula_sum 'Na4 Al3 Si3 O12 Cl'
_cell_length_a 9.02748
_cell_length_b 9.02748
_cell_length_c 9.02748
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 735.698
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Na   0.18680   0.18680   0.18680   0.08920
Al   0.25000   0.00000   0.50000   0.01640
Si   0.25000   0.50000   0.00000   0.01640
O   0.14460   0.15467   0.45305   0.03340
Cl   0.00000   0.00000   0.00000   0.17170