The material described by CsSc3(CuTe3)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Te(2), four equivalent Te(1), and four equivalent Te(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Cu(1), one Te(1), two equivalent Te(3), and three equivalent Te(2) atoms to form distorted ScCuTe6 pentagonal bipyramids that share  a cornercorner with one Sc(2)Te6 octahedra, edges with two equivalent Sc(2)Te6 octahedra, and edges with four equivalent Sc(1)CuTe6 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form ScTe6 octahedra that share corners with two equivalent Sc(1)CuTe6 pentagonal bipyramids, edges with two equivalent Sc(2)Te6 octahedra, and edges with four equivalent Sc(1)CuTe6 pentagonal bipyramids. Cu(1) is bonded in a 7-coordinate geometry to one Sc(1), two equivalent Cu(1), one Te(1), and three equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Sc(1), two equivalent Sc(2), and one Cu(1) atom. In the second Te site, Te(2) is bonded to one Cs(1), one Sc(2), and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing TeCsSc4 trigonal bipyramids. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Sc(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CsSc3(CuTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.190
_cell_length_b   9.190
_cell_length_c   10.401
_cell_angle_alpha   67.620
_cell_angle_beta   67.620
_cell_angle_gamma   26.145
_symmetry_Int_Tables_number   1
_cell_volume   356.273
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.288  0.288  0.638  1.0
  Sc  Sc2  1  0.712  0.712  0.362  1.0
  Sc  Sc3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.277  0.277  0.918  1.0
  Cu  Cu5  1  0.723  0.723  0.082  1.0
  Te  Te6  1  0.572  0.572  0.290  1.0
  Te  Te7  1  0.140  0.140  0.579  1.0
  Te  Te8  1  0.703  0.703  0.854  1.0
  Te  Te9  1  0.860  0.860  0.421  1.0
  Te  Te10  1  0.428  0.428  0.710  1.0
  Te  Te11  1  0.297  0.297  0.146  1.0
[/CIF]
.
The material described by CsSc3(CuTe3)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Te(2), four equivalent Te(1), and four equivalent Te(3) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one Cu(1), one Te(1), two equivalent Te(3), and three equivalent Te(2) atoms to form distorted ScCuTe6 pentagonal bipyramids that share  a cornercorner with one Sc(2)Te6 octahedra, edges with two equivalent Sc(2)Te6 octahedra, and edges with four equivalent Sc(1)CuTe6 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the second Sc site, Sc(2) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form ScTe6 octahedra that share corners with two equivalent Sc(1)CuTe6 pentagonal bipyramids, edges with two equivalent Sc(2)Te6 octahedra, and edges with four equivalent Sc(1)CuTe6 pentagonal bipyramids. Cu(1) is bonded in a 7-coordinate geometry to one Sc(1), two equivalent Cu(1), one Te(1), and three equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Sc(1), two equivalent Sc(2), and one Cu(1) atom. In the second Te site, Te(2) is bonded to one Cs(1), one Sc(2), and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing TeCsSc4 trigonal bipyramids. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Sc(1), and three equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_CsSc3(CuTe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.190
_cell_length_b   9.190
_cell_length_c   10.401
_cell_angle_alpha   67.620
_cell_angle_beta   67.620
_cell_angle_gamma   26.145
_symmetry_Int_Tables_number   1
_cell_volume   356.273
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Sc  Sc1  1  0.288  0.288  0.638  1.0
  Sc  Sc2  1  0.712  0.712  0.362  1.0
  Sc  Sc3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.277  0.277  0.918  1.0
  Cu  Cu5  1  0.723  0.723  0.082  1.0
  Te  Te6  1  0.572  0.572  0.290  1.0
  Te  Te7  1  0.140  0.140  0.579  1.0
  Te  Te8  1  0.703  0.703  0.854  1.0
  Te  Te9  1  0.860  0.860  0.421  1.0
  Te  Te10  1  0.428  0.428  0.710  1.0
  Te  Te11  1  0.297  0.297  0.146  1.0
[/CIF]
.