The structure described by Sc2Te3 crystallizes in the triclinic P-1 space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Te(2), two equivalent Te(4), and two equivalent Te(6) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2), two equivalent Te(4), and two equivalent Te(6) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra are not tilted. In the third Sc site, Sc(3) is bonded to one Te(1), one Te(2), one Te(3), one Te(4), one Te(5), and one Te(6) atom to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the fourth Sc site, Sc(4) is bonded to two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fifth Sc site, Sc(5) is bonded to two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the third Te site, Te(3) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the fifth Te site, Te(5) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the sixth Te site, Te(6) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.190
_cell_length_c   13.848
_cell_angle_alpha   94.932
_cell_angle_beta   94.987
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   610.611
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.671  0.335  1.000  1.0
  Sc  Sc2  1  0.329  0.665  0.000  1.0
  Sc  Sc3  1  0.083  0.749  0.246  1.0
  Sc  Sc4  1  0.170  0.836  0.509  1.0
  Sc  Sc5  1  0.830  0.164  0.491  1.0
  Sc  Sc6  1  0.917  0.251  0.754  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  Te  Te8  1  0.131  0.121  0.376  1.0
  Te  Te9  1  0.290  0.292  0.876  1.0
  Te  Te10  1  0.797  0.469  0.376  1.0
  Te  Te11  1  0.959  0.624  0.874  1.0
  Te  Te12  1  0.449  0.786  0.376  1.0
  Te  Te13  1  0.626  0.960  0.876  1.0
  Te  Te14  1  0.374  0.040  0.124  1.0
  Te  Te15  1  0.551  0.214  0.624  1.0
  Te  Te16  1  0.041  0.376  0.126  1.0
  Te  Te17  1  0.203  0.531  0.624  1.0
  Te  Te18  1  0.710  0.708  0.124  1.0
  Te  Te19  1  0.869  0.879  0.624  1.0
[/CIF]
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The structure described by Sc2Te3 crystallizes in the triclinic P-1 space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Te(2), two equivalent Te(4), and two equivalent Te(6) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2), two equivalent Te(4), and two equivalent Te(6) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedra are not tilted. In the third Sc site, Sc(3) is bonded to one Te(1), one Te(2), one Te(3), one Te(4), one Te(5), and one Te(6) atom to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the fourth Sc site, Sc(4) is bonded to two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms to form a mixture of corner, edge, and face-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the fifth Sc site, Sc(5) is bonded to two equivalent Te(1), two equivalent Te(3), and two equivalent Te(5) atoms to form a mixture of corner and edge-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the second Te site, Te(2) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the third Te site, Te(3) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. In the fifth Te site, Te(5) is bonded in a rectangular see-saw-like geometry to one Sc(3), one Sc(5), and two equivalent Sc(4) atoms. In the sixth Te site, Te(6) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(3), and two equivalent Sc(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.189
_cell_length_b   7.190
_cell_length_c   13.848
_cell_angle_alpha   94.932
_cell_angle_beta   94.987
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   610.611
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.671  0.335  1.000  1.0
  Sc  Sc2  1  0.329  0.665  0.000  1.0
  Sc  Sc3  1  0.083  0.749  0.246  1.0
  Sc  Sc4  1  0.170  0.836  0.509  1.0
  Sc  Sc5  1  0.830  0.164  0.491  1.0
  Sc  Sc6  1  0.917  0.251  0.754  1.0
  Sc  Sc7  1  0.500  0.500  0.500  1.0
  Te  Te8  1  0.131  0.121  0.376  1.0
  Te  Te9  1  0.290  0.292  0.876  1.0
  Te  Te10  1  0.797  0.469  0.376  1.0
  Te  Te11  1  0.959  0.624  0.874  1.0
  Te  Te12  1  0.449  0.786  0.376  1.0
  Te  Te13  1  0.626  0.960  0.876  1.0
  Te  Te14  1  0.374  0.040  0.124  1.0
  Te  Te15  1  0.551  0.214  0.624  1.0
  Te  Te16  1  0.041  0.376  0.126  1.0
  Te  Te17  1  0.203  0.531  0.624  1.0
  Te  Te18  1  0.710  0.708  0.124  1.0
  Te  Te19  1  0.869  0.879  0.624  1.0
[/CIF]
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