data_global
_chemical_name_mineral 'Thorutite'
loop_
_publ_author_name
'Mitchell R H'
'Chakhmouradian A R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 26 
_journal_year 1999
_journal_page_first 396
_journal_page_last 405
_publ_section_title
;
 Solid solubility in the system NaLREETi2O6 - ThTi2O6
 (LREE, light rare-earth elements): experimental and analytical data
;
_database_code_amcsd 0008221
_chemical_formula_sum 'Th Ti2 O6'
_cell_length_a 9.8140
_cell_length_b 3.8228
_cell_length_c 7.0313
_cell_angle_alpha 90
_cell_angle_beta 118.82
_cell_angle_gamma 90
_cell_volume 231.119
_exptl_crystal_density_diffrn      6.090
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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_U_iso_or_equiv
Th   0.00000   0.00000   0.00000   0.01026
Ti   0.82360   0.00000   0.39480   0.00988
O1   0.98000   0.00000   0.31500   0.00760
O2   0.66000   0.00000   0.11500   0.02026
O3   0.28300   0.00000   0.41000   0.01520