The compound described by Cs3Hf2CuTe10 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), one Te(10), one Te(3), one Te(4), one Te(8), two equivalent Te(2), and two equivalent Te(7) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), one Te(10), one Te(2), one Te(3), one Te(4), one Te(6), one Te(9), and two equivalent Te(8) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one Te(1), one Te(2), one Te(3), one Te(5), one Te(6), one Te(7), one Te(9), and two equivalent Te(10) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to two equivalent Cu(1), one Te(2), one Te(3), one Te(4), one Te(5), one Te(6), and two equivalent Te(1) atoms. In the second Hf site, Hf(2) is bonded in a distorted pentagonal bipyramidal geometry to one Te(10), one Te(4), one Te(5), one Te(6), one Te(7), one Te(8), and one Te(9) atom. Cu(1) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), two equivalent Hf(1), one Te(2), one Te(3), and two equivalent Te(1) atoms. There are ten inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Hf(1), and two equivalent Cu(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), one Hf(1), one Cu(1), and one Te(4) atom. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Hf(1), one Cu(1), one Te(5), and one Te(6) atom. In the fourth Te site, Te(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Hf(1), one Hf(2), and one Te(2) atom. In the fifth Te site, Te(5) is bonded in a 2-coordinate geometry to one Cs(3), one Hf(1), one Hf(2), one Te(3), and one Te(7) atom. In the sixth Te site, Te(6) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Hf(1), one Hf(2), one Te(3), and one Te(8) atom. In the seventh Te site, Te(7) is bonded in a 7-coordinate geometry to one Cs(3), two equivalent Cs(1), one Hf(2), one Te(5), one Te(7), and one Te(9) atom. In the eighth Te site, Te(8) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hf(2), and one Te(6) atom. In the ninth Te site, Te(9) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), one Hf(2), one Te(10), and one Te(7) atom. In the tenth Te site, Te(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Hf(2), and one Te(9) atom. is represented by the CIF card [CIF]
data_Cs3Hf2CuTe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.214
_cell_length_b   11.268
_cell_length_c   11.483
_cell_angle_alpha   89.540
_cell_angle_beta   89.335
_cell_angle_gamma   78.120
_symmetry_Int_Tables_number   1
_cell_volume   1293.241
_cell_formula_units_Z   2
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  0.885  0.891  0.261  1.0
  Cs  Cs1  1  0.115  0.109  0.739  1.0
  Cs  Cs2  1  0.445  0.764  0.390  1.0
  Cs  Cs3  1  0.555  0.236  0.610  1.0
  Cs  Cs4  1  0.301  0.625  0.896  1.0
  Cs  Cs5  1  0.699  0.375  0.104  1.0
  Hf  Hf6  1  0.108  0.377  0.364  1.0
  Hf  Hf7  1  0.892  0.623  0.636  1.0
  Hf  Hf8  1  0.308  0.159  0.143  1.0
  Hf  Hf9  1  0.692  0.841  0.857  1.0
  Cu  Cu10  1  0.921  0.378  0.556  1.0
  Cu  Cu11  1  0.079  0.622  0.444  1.0
  Te  Te12  1  0.844  0.560  0.399  1.0
  Te  Te13  1  0.156  0.440  0.601  1.0
  Te  Te14  1  0.928  0.207  0.406  1.0
  Te  Te15  1  0.072  0.793  0.594  1.0
  Te  Te16  1  0.193  0.589  0.242  1.0
  Te  Te17  1  0.807  0.411  0.758  1.0
  Te  Te18  1  0.215  0.118  0.391  1.0
  Te  Te19  1  0.785  0.882  0.609  1.0
  Te  Te20  1  0.080  0.363  0.110  1.0
  Te  Te21  1  0.920  0.637  0.890  1.0
  Te  Te22  1  0.390  0.357  0.290  1.0
  Te  Te23  1  0.610  0.643  0.710  1.0
  Te  Te24  1  0.044  0.122  0.068  1.0
  Te  Te25  1  0.956  0.878  0.932  1.0
  Te  Te26  1  0.524  0.091  0.303  1.0
  Te  Te27  1  0.476  0.909  0.697  1.0
  Te  Te28  1  0.332  0.913  0.070  1.0
  Te  Te29  1  0.668  0.087  0.930  1.0
  Te  Te30  1  0.409  0.245  0.931  1.0
  Te  Te31  1  0.591  0.755  0.069  1.0
[/CIF]
.
The compound described by Cs3Hf2CuTe10 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), one Te(10), one Te(3), one Te(4), one Te(8), two equivalent Te(2), and two equivalent Te(7) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), one Te(10), one Te(2), one Te(3), one Te(4), one Te(6), one Te(9), and two equivalent Te(8) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one Te(1), one Te(2), one Te(3), one Te(5), one Te(6), one Te(7), one Te(9), and two equivalent Te(10) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to two equivalent Cu(1), one Te(2), one Te(3), one Te(4), one Te(5), one Te(6), and two equivalent Te(1) atoms. In the second Hf site, Hf(2) is bonded in a distorted pentagonal bipyramidal geometry to one Te(10), one Te(4), one Te(5), one Te(6), one Te(7), one Te(8), and one Te(9) atom. Cu(1) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), two equivalent Hf(1), one Te(2), one Te(3), and two equivalent Te(1) atoms. There are ten inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Hf(1), and two equivalent Cu(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), one Hf(1), one Cu(1), and one Te(4) atom. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Hf(1), one Cu(1), one Te(5), and one Te(6) atom. In the fourth Te site, Te(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Hf(1), one Hf(2), and one Te(2) atom. In the fifth Te site, Te(5) is bonded in a 2-coordinate geometry to one Cs(3), one Hf(1), one Hf(2), one Te(3), and one Te(7) atom. In the sixth Te site, Te(6) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Hf(1), one Hf(2), one Te(3), and one Te(8) atom. In the seventh Te site, Te(7) is bonded in a 7-coordinate geometry to one Cs(3), two equivalent Cs(1), one Hf(2), one Te(5), one Te(7), and one Te(9) atom. In the eighth Te site, Te(8) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Cs(2), one Hf(2), and one Te(6) atom. In the ninth Te site, Te(9) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), one Hf(2), one Te(10), and one Te(7) atom. In the tenth Te site, Te(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Hf(2), and one Te(9) atom. is represented by the CIF card [CIF]
data_Cs3Hf2CuTe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.214
_cell_length_b   11.268
_cell_length_c   11.483
_cell_angle_alpha   89.540
_cell_angle_beta   89.335
_cell_angle_gamma   78.120
_symmetry_Int_Tables_number   1
_cell_volume   1293.241
_cell_formula_units_Z   2
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  0.885  0.891  0.261  1.0
  Cs  Cs1  1  0.115  0.109  0.739  1.0
  Cs  Cs2  1  0.445  0.764  0.390  1.0
  Cs  Cs3  1  0.555  0.236  0.610  1.0
  Cs  Cs4  1  0.301  0.625  0.896  1.0
  Cs  Cs5  1  0.699  0.375  0.104  1.0
  Hf  Hf6  1  0.108  0.377  0.364  1.0
  Hf  Hf7  1  0.892  0.623  0.636  1.0
  Hf  Hf8  1  0.308  0.159  0.143  1.0
  Hf  Hf9  1  0.692  0.841  0.857  1.0
  Cu  Cu10  1  0.921  0.378  0.556  1.0
  Cu  Cu11  1  0.079  0.622  0.444  1.0
  Te  Te12  1  0.844  0.560  0.399  1.0
  Te  Te13  1  0.156  0.440  0.601  1.0
  Te  Te14  1  0.928  0.207  0.406  1.0
  Te  Te15  1  0.072  0.793  0.594  1.0
  Te  Te16  1  0.193  0.589  0.242  1.0
  Te  Te17  1  0.807  0.411  0.758  1.0
  Te  Te18  1  0.215  0.118  0.391  1.0
  Te  Te19  1  0.785  0.882  0.609  1.0
  Te  Te20  1  0.080  0.363  0.110  1.0
  Te  Te21  1  0.920  0.637  0.890  1.0
  Te  Te22  1  0.390  0.357  0.290  1.0
  Te  Te23  1  0.610  0.643  0.710  1.0
  Te  Te24  1  0.044  0.122  0.068  1.0
  Te  Te25  1  0.956  0.878  0.932  1.0
  Te  Te26  1  0.524  0.091  0.303  1.0
  Te  Te27  1  0.476  0.909  0.697  1.0
  Te  Te28  1  0.332  0.913  0.070  1.0
  Te  Te29  1  0.668  0.087  0.930  1.0
  Te  Te30  1  0.409  0.245  0.931  1.0
  Te  Te31  1  0.591  0.755  0.069  1.0
[/CIF]
.