data_global
_chemical_name_mineral 'Thortveitite'
loop_
_publ_author_name
'Zachariasen W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 73 
_journal_year 1930
_journal_page_first 1
_journal_page_last 6
_publ_section_title
;
 The structure of thortveitite, Sc2 Si O7
 _cod_database_code 1011147
;
_database_code_amcsd 0018032
_chemical_formula_sum 'Sc2 Si2 O7'
_cell_length_a 6.56
_cell_length_b 8.58
_cell_length_c 4.74
_cell_angle_alpha 90
_cell_angle_beta 103.13
_cell_angle_gamma 90
_cell_volume 259.815
_exptl_crystal_density_diffrn      3.299
_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
Sc1   0.00000   0.30000   0.50000
Si1   0.22200   0.00000  -0.06400
O1   0.00000   0.00000   0.00000
O2   0.40300   0.00000   0.23300
O3   0.25000   0.15000  -0.26900