data_global
_chemical_name_mineral 'Stellerite'
loop_
_publ_author_name
'Sacerdoti M'
'Gomedi I'
_journal_name_full 'Bulletin de Mineralogie'
_journal_volume 107 
_journal_year 1984
_journal_page_first 799
_journal_page_last 804
_publ_section_title
;
 Crystal structural refinement of Ca-exchanged barrerite
 Note: made from natural barrierite in the lab
;
_database_code_amcsd 0012083
_chemical_compound_source 'Capo Pula, Sardegna, Italy'
_chemical_formula_sum 'Ca.92 (Si6.876 Al2.124) O27.05 H18.1'
_cell_length_a 13.610
_cell_length_b 18.214
_cell_length_c 17.833
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4420.668
_exptl_crystal_density_diffrn      2.219
_symmetry_space_group_name_H-M 'F m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  '-x,1/2+y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca   0.50000   0.00000   0.29080   0.92000   0.05400
Si1   0.38610   0.30710   0.37680   0.76400   0.01900
Al1   0.38610   0.30710   0.37680   0.23600   0.01900
Si3   0.30180   0.41130   0.50000   0.76400   0.01900
Al3   0.30180   0.41130   0.50000   0.23600   0.01900
Si4   0.38860   0.18320   0.50000   0.76400   0.01700
Al4   0.38860   0.18320   0.50000   0.23600   0.01700
Si5   0.25000   0.25000   0.25000   0.76400   0.02200
Al5   0.25000   0.25000   0.25000   0.23600   0.02200
O1   0.31810   0.30360   0.30080   1.00000   0.03900
O3   0.37140   0.23190   0.42530   1.00000   0.03800
O4   0.35690   0.38030   0.42400   1.00000   0.04100
O7   0.50000   0.31540   0.34830   1.00000   0.03400
O8   0.31450   0.11290   0.50000   1.00000   0.03600
O9   0.30590   0.50000   0.50000   1.00000   0.03700
O10   0.50000   0.15010   0.50000   1.00000   0.03100
Wat1   0.37220   0.08840   0.31290   0.54000   0.24100
Wat2   0.50000   0.12790   0.23670   0.92000   0.12700
Wat3   0.45420   0.00000   0.42300   0.57000   0.11700
Wat4   0.36730   0.00000   0.37810   0.26000   0.10200
Wat5   0.42330   0.50000   0.33360   0.32000   0.06500
Wat6   0.36550   0.50000   0.31010   0.56000   0.12600
Wat7   0.30520   0.05460   0.28590   0.31000   0.18800
Wat8   0.50000   0.50000   0.34630   0.39000   0.08300