data_1011244
_chemical_name_systematic
;
Hexasodium dicalcium hexaaluminium hexasilicate disulfate *
;
_chemical_name_mineral             'Hauyne'
_chemical_compound_source
;
from Niedermendig, Laacher See, Eifel, Germany
;
_chemical_formula_structural       'Na6 Ca2 Al6 Si6 O24 (S O4)2'
_chemical_formula_sum              'Al6 Ca2 Na6 O32 S2 Si6'
_publ_section_title                'Kristallstruktur von Hauyn und Nosean'
_publ_author_name                  'Machatschki, F'
_journal_name_full
;
Zentralblatt fuer Mineralogie und Geologie, A
;
_journal_coden_ASTM                ZMGPAS
_journal_volume                    1934
_journal_year                      1934
_journal_page_first                136
_journal_page_last                 144
_cell_length_a                     9.1
_cell_length_b                     9.1
_cell_length_c                     9.1
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       753.6
_cell_formula_units_Z              1
_exptl_crystal_density_meas        2.4
_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
  Na1+   1.000
  Ca2+   2.000
  Al3+   3.000
  Si4+   4.000
  S6+    6.000
  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+   8 e 0.222(3) 0.222(3) 0.222(3) 0.75  0 d
  Ca1   Ca2+   8 e 0.222(3) 0.222(3) 0.222(3) 0.25  0 d
  Al1   Al3+   6 c 0.5 0. 0.25 1.  0 d
  Si1   Si4+   6 d 0. 0.5 0.25 1.  0 d
  S1    S6+    2 a 0. 0. 0. 1.  0 d
  O1    O2-    8 e 0.900(3) 0.900(3) 0.900(3) 1.  0 d
  O2    O2-   24 i 0.136(6) 0.475(6) 0.147(6) 1.  0 d