#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000301.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000301
_chemical_name '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
;
_chemical_formula_sum 'Al.86 Si1.27 O6 Mg.39 Ti.48 Ca'
_cell_length_a 9.80
_cell_length_b 8.85
_cell_length_c 5.36
_cell_angle_alpha 90
_cell_angle_beta 105.62
_cell_angle_gamma 90
_cell_volume 447.704
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_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   0.28820   0.09340   0.22600   0.36500
Si   0.28820   0.09340   0.22600   0.63500
O1   0.11190   0.08720   0.13520   1.00000
O2   0.36340   0.25690   0.32140   1.00000
O3   0.35240   0.01980  -0.01050   1.00000
Mg1   0.00000   0.90670   0.25000   0.39000
Ti1   0.00000   0.90670   0.25000   0.48000
Al1   0.00000   0.90670   0.25000   0.13000
Ca2   0.00000   0.30780   0.25000   1.00000