data_Faujasite

_chemical_name_mineral             'Faujasite'
_chemical_formula_sum              'H10.96 Al1.2 Ca.225 Na.45 O13.48 Si2.8'

_publ_section_title                'Ueber die Kristallstruktur des Faujasites'
loop_
_publ_author_name                  
  'Bergerhoff, G'
_journal_name_full                 
;
Personal communication
;

_cell_length_a                     24.74
_cell_length_b                     24.74
_cell_length_c                     24.74
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90

_symmetry_space_group_name_H-M     'F d -3 m'
_symmetry_Int_Tables_number        227
_symmetry_cell_setting             cubic

loop_
_atom_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  Al3+   3.000
  O2-   -2.000
  Na1+   1.000
  Ca2+   2.000
  H1+    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
  Si1   Si4+ 192 i 0.125 0.948 0.035 0.7
  Al1   Al3+ 192 i 0.125 0.948 0.035 0.3
  O1    O2-   96 g 0.174 0.174 0.967 1.
  O2    O2-   96 g 0.175 0.175 0.325 1.
  O3    O2-   96 g 0.25 0.25 0.137 1.
  O4    O2-   96 h 0. 0.104 0.896 1.
  Na1   Na1+  32 e 0.073 0.073 0.073 0.3375
  Ca1   Ca2+  32 e 0.073 0.073 0.073 0.1688
  Na2   Na1+  32 e 0.17 0.17 0.17 0.3375
  Ca2   Ca2+  32 e 0.17 0.17 0.17 0.1688
  O5    O2-  192 i ? ? ? 1.37
  H1    H1+  192 i ? ? ? 2.74




