The material structure described by Cs3Cu20Te13 crystallizes in the cubic Fm-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent Cu(1), twelve equivalent Cu(2), and twelve equivalent Te(1) atoms to form distorted CsCu16Te12 tetrahedra that share faces with four equivalent Cs(2)Cu12Te12 cuboctahedra and faces with six equivalent Cs(1)Cu16Te12 tetrahedra. In the second Cs site, Cs(2) is bonded to twelve equivalent Cu(2) and twelve equivalent Te(1) atoms to form distorted face-sharing CsCu12Te12 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cs(1), three equivalent Cu(2), one Te(2), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the second Te site, Te(1) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cs3Cu20Te13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.547
_cell_length_b   10.547
_cell_length_c   10.547
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   829.588
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Cs  Cs2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.896  0.896  0.311  1.0
  Cu  Cu4  1  0.104  0.104  0.689  1.0
  Cu  Cu5  1  0.896  0.311  0.896  1.0
  Cu  Cu6  1  0.104  0.689  0.104  1.0
  Cu  Cu7  1  0.311  0.896  0.896  1.0
  Cu  Cu8  1  0.689  0.104  0.104  1.0
  Cu  Cu9  1  0.896  0.896  0.896  1.0
  Cu  Cu10  1  0.104  0.104  0.104  1.0
  Cu  Cu11  1  0.630  0.882  0.370  1.0
  Cu  Cu12  1  0.882  0.118  0.370  1.0
  Cu  Cu13  1  0.118  0.630  0.370  1.0
  Cu  Cu14  1  0.370  0.118  0.630  1.0
  Cu  Cu15  1  0.118  0.882  0.630  1.0
  Cu  Cu16  1  0.882  0.370  0.630  1.0
  Cu  Cu17  1  0.118  0.370  0.882  1.0
  Cu  Cu18  1  0.630  0.370  0.118  1.0
  Cu  Cu19  1  0.882  0.630  0.118  1.0
  Cu  Cu20  1  0.370  0.630  0.882  1.0
  Cu  Cu21  1  0.370  0.882  0.118  1.0
  Cu  Cu22  1  0.630  0.118  0.882  1.0
  Te  Te23  1  0.868  0.620  0.380  1.0
  Te  Te24  1  0.620  0.132  0.380  1.0
  Te  Te25  1  0.132  0.868  0.380  1.0
  Te  Te26  1  0.132  0.380  0.620  1.0
  Te  Te27  1  0.380  0.868  0.620  1.0
  Te  Te28  1  0.868  0.132  0.620  1.0
  Te  Te29  1  0.868  0.380  0.132  1.0
  Te  Te30  1  0.620  0.380  0.868  1.0
  Te  Te31  1  0.132  0.620  0.868  1.0
  Te  Te32  1  0.380  0.620  0.132  1.0
  Te  Te33  1  0.380  0.132  0.868  1.0
  Te  Te34  1  0.620  0.868  0.132  1.0
  Te  Te35  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Cs3Cu20Te13 crystallizes in the cubic Fm-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent Cu(1), twelve equivalent Cu(2), and twelve equivalent Te(1) atoms to form distorted CsCu16Te12 tetrahedra that share faces with four equivalent Cs(2)Cu12Te12 cuboctahedra and faces with six equivalent Cs(1)Cu16Te12 tetrahedra. In the second Cs site, Cs(2) is bonded to twelve equivalent Cu(2) and twelve equivalent Te(1) atoms to form distorted face-sharing CsCu12Te12 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Cs(1), three equivalent Cu(2), one Te(2), and three equivalent Te(1) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the second Te site, Te(1) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_Cs3Cu20Te13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.547
_cell_length_b   10.547
_cell_length_c   10.547
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   829.588
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Cs  Cs2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.896  0.896  0.311  1.0
  Cu  Cu4  1  0.104  0.104  0.689  1.0
  Cu  Cu5  1  0.896  0.311  0.896  1.0
  Cu  Cu6  1  0.104  0.689  0.104  1.0
  Cu  Cu7  1  0.311  0.896  0.896  1.0
  Cu  Cu8  1  0.689  0.104  0.104  1.0
  Cu  Cu9  1  0.896  0.896  0.896  1.0
  Cu  Cu10  1  0.104  0.104  0.104  1.0
  Cu  Cu11  1  0.630  0.882  0.370  1.0
  Cu  Cu12  1  0.882  0.118  0.370  1.0
  Cu  Cu13  1  0.118  0.630  0.370  1.0
  Cu  Cu14  1  0.370  0.118  0.630  1.0
  Cu  Cu15  1  0.118  0.882  0.630  1.0
  Cu  Cu16  1  0.882  0.370  0.630  1.0
  Cu  Cu17  1  0.118  0.370  0.882  1.0
  Cu  Cu18  1  0.630  0.370  0.118  1.0
  Cu  Cu19  1  0.882  0.630  0.118  1.0
  Cu  Cu20  1  0.370  0.630  0.882  1.0
  Cu  Cu21  1  0.370  0.882  0.118  1.0
  Cu  Cu22  1  0.630  0.118  0.882  1.0
  Te  Te23  1  0.868  0.620  0.380  1.0
  Te  Te24  1  0.620  0.132  0.380  1.0
  Te  Te25  1  0.132  0.868  0.380  1.0
  Te  Te26  1  0.132  0.380  0.620  1.0
  Te  Te27  1  0.380  0.868  0.620  1.0
  Te  Te28  1  0.868  0.132  0.620  1.0
  Te  Te29  1  0.868  0.380  0.132  1.0
  Te  Te30  1  0.620  0.380  0.868  1.0
  Te  Te31  1  0.132  0.620  0.868  1.0
  Te  Te32  1  0.380  0.620  0.132  1.0
  Te  Te33  1  0.380  0.132  0.868  1.0
  Te  Te34  1  0.620  0.868  0.132  1.0
  Te  Te35  1  0.000  0.000  0.000  1.0
[/CIF]
.