data_global
_chemical_name_mineral 'Fassaite'
loop_
_publ_author_name
'Dowty E'
'Clark J R'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 230
_journal_page_last 242
_publ_section_title
;
 Crystal structure refinement and optical properties of a Ti3+ fassaite from the
 Allende Meteorite
;
_database_code_amcsd 310
_chemical_formula_sum 'Al.86 Si1.27 O6 Mg.39 Ti.48 Ca'
_cell_length_a 9.8
_cell_length_b 8.85
_cell_length_c 5.36
_cell_angle_alpha 90.0
_cell_angle_beta 105.62
_cell_angle_gamma 90.0
_cell_volume 447.704
_exptl_crystal_density_diffrn  3.374
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-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
Al   0.2882  0.0934  0.226  0.365
Si   0.2882  0.0934  0.226  0.635
O1   0.1119  0.0872  0.1352  1.0
O2   0.3634  0.2569  0.3214  1.0
O3   0.3524  0.0198  -0.0105  1.0
Mg1   0.0  0.9067  0.25  0.39
Ti1   0.0  0.9067  0.25  0.48
Al1   0.0  0.9067  0.25  0.13
Ca2   0.0  0.3078  0.25  1.0
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al   0.00569  0.0054  0.00648  0.00013  0.00247  -0.00046
Si   0.00569  0.0054  0.00648  0.0  0.00247  -0.00046
O1   0.00993  0.00913  0.00634  0.00042  0.00395  -0.00046
O2   0.01444  0.00992  0.0085  0.00127  0.00395  0.00046
O3   0.00722  0.00992  0.00837  0.00127  0.00222  -0.00162
Mg1   0.00722  0.00794  0.0085  0.0  0.00197  0.0
Ti1   0.00722  0.00794  0.0085  0.0  0.00197  0.0
Al1   0.00722  0.00794  0.0085  0.0  0.00197  0.0
Ca2   0.01187  0.00809  0.00823  0.0  0.00123  0.0