data_global
_amcsd_formula_title 'Sc2Te3'
loop_
_publ_author_name
'Assoud A'
'Kleinke H'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 62 
_journal_year 2006
_journal_page_first i17
_journal_page_last i18
_publ_section_title
;
 The sesquitelluride Sc2Te3
;
_database_code_amcsd 0010469
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sc2 Te3'
_cell_length_a 8.2223
_cell_length_b 11.6292
_cell_length_c 24.6085
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2353.034
_exptl_crystal_density_diffrn      5.337
_symmetry_space_group_name_H-M 'F d d d'
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'
  '3/4+x,-y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '3/4+x,3/4+y,-z'
  '3/4+x,1/4+y,1/2-z'
  '1/4+x,3/4+y,1/2-z'
  '1/4+x,1/4+y,-z'
  '3/4-x,3/4-y,z'
  '3/4-x,1/4-y,1/2+z'
  '1/4-x,3/4-y,1/2+z'
  '1/4-x,1/4-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_U_iso_or_equiv
Sc1   0.12500   0.12500   0.04299   0.00960
Sc2   0.12500   0.12500   0.37467   0.00940
Te1   0.37907   0.12500   0.12500   0.00811
Te2   0.37509   0.12514   0.45825   0.00822
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
Sc1 0.00990 0.00950 0.00950 -0.00040 0.00000 0.00000
Sc2 0.00930 0.00850 0.01030 0.00058 0.00000 0.00000
Te1 0.00870 0.00620 0.00940 0.00000 0.00000 0.00004
Te2 0.00770 0.00960 0.00730 -0.00037 -0.00146 -0.00027