The crystal structure described by HfTe3Se8 crystallizes in the triclinic P-1 space group. Hf(1) is bonded to one Se(1), one Se(5), two equivalent Se(6), and two equivalent Se(7) atoms to form distorted HfSe6 pentagonal pyramids that share  a cornercorner with one Te(2)Se5 trigonal bipyramid, edges with two equivalent Hf(1)Se6 pentagonal pyramids, and  an edgeedge with one Te(2)Se5 trigonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one Se(2), one Se(8), and two equivalent Se(3) atoms. In the second Te site, Te(2) is bonded to one Se(1), one Se(3), one Se(4), one Se(7), and one Se(8) atom to form distorted TeSe5 trigonal bipyramids that share  a cornercorner with one Hf(1)Se6 pentagonal pyramid and  an edgeedge with one Hf(1)Se6 pentagonal pyramid. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), and two equivalent Se(6) atoms. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to one Hf(1) and one Te(2) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 120 degrees geometry to one Te(2) and one Te(3) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to one Hf(1) and one Te(3) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to two equivalent Hf(1) and two equivalent Te(3) atoms. In the seventh Se site, Se(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hf(1) and one Te(2) atom. In the eighth Se site, Se(8) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTe3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.271
_cell_length_b   8.054
_cell_length_c   13.241
_cell_angle_alpha   96.231
_cell_angle_beta   99.131
_cell_angle_gamma   102.403
_symmetry_Int_Tables_number   1
_cell_volume   739.489
_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
  Hf  Hf0  1  0.898  0.243  0.002  1.0
  Hf  Hf1  1  0.102  0.757  0.998  1.0
  Te  Te2  1  0.938  0.327  0.607  1.0
  Te  Te3  1  0.071  0.137  0.282  1.0
  Te  Te4  1  0.929  0.863  0.718  1.0
  Te  Te5  1  0.511  0.541  0.183  1.0
  Te  Te6  1  0.062  0.673  0.393  1.0
  Te  Te7  1  0.489  0.459  0.817  1.0
  Se  Se8  1  0.748  0.208  0.162  1.0
  Se  Se9  1  0.734  0.769  0.346  1.0
  Se  Se10  1  0.156  0.689  0.593  1.0
  Se  Se11  1  0.639  0.588  0.657  1.0
  Se  Se12  1  0.361  0.412  0.343  1.0
  Se  Se13  1  0.375  0.813  0.168  1.0
  Se  Se14  1  0.784  0.549  0.019  1.0
  Se  Se15  1  0.810  0.909  0.904  1.0
  Se  Se16  1  0.844  0.311  0.407  1.0
  Se  Se17  1  0.625  0.187  0.832  1.0
  Se  Se18  1  0.269  0.996  0.429  1.0
  Se  Se19  1  0.731  0.004  0.571  1.0
  Se  Se20  1  0.190  0.091  0.096  1.0
  Se  Se21  1  0.266  0.231  0.654  1.0
  Se  Se22  1  0.216  0.451  0.981  1.0
  Se  Se23  1  0.252  0.792  0.838  1.0
[/CIF]
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The crystal structure described by HfTe3Se8 crystallizes in the triclinic P-1 space group. Hf(1) is bonded to one Se(1), one Se(5), two equivalent Se(6), and two equivalent Se(7) atoms to form distorted HfSe6 pentagonal pyramids that share  a cornercorner with one Te(2)Se5 trigonal bipyramid, edges with two equivalent Hf(1)Se6 pentagonal pyramids, and  an edgeedge with one Te(2)Se5 trigonal bipyramid. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one Se(2), one Se(8), and two equivalent Se(3) atoms. In the second Te site, Te(2) is bonded to one Se(1), one Se(3), one Se(4), one Se(7), and one Se(8) atom to form distorted TeSe5 trigonal bipyramids that share  a cornercorner with one Hf(1)Se6 pentagonal pyramid and  an edgeedge with one Hf(1)Se6 pentagonal pyramid. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), and two equivalent Se(6) atoms. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted L-shaped geometry to one Hf(1) and one Te(2) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Te(2) and two equivalent Te(1) atoms. In the fourth Se site, Se(4) is bonded in a bent 120 degrees geometry to one Te(2) and one Te(3) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to one Hf(1) and one Te(3) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to two equivalent Hf(1) and two equivalent Te(3) atoms. In the seventh Se site, Se(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hf(1) and one Te(2) atom. In the eighth Se site, Se(8) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfTe3Se8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.271
_cell_length_b   8.054
_cell_length_c   13.241
_cell_angle_alpha   96.231
_cell_angle_beta   99.131
_cell_angle_gamma   102.403
_symmetry_Int_Tables_number   1
_cell_volume   739.489
_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
  Hf  Hf0  1  0.898  0.243  0.002  1.0
  Hf  Hf1  1  0.102  0.757  0.998  1.0
  Te  Te2  1  0.938  0.327  0.607  1.0
  Te  Te3  1  0.071  0.137  0.282  1.0
  Te  Te4  1  0.929  0.863  0.718  1.0
  Te  Te5  1  0.511  0.541  0.183  1.0
  Te  Te6  1  0.062  0.673  0.393  1.0
  Te  Te7  1  0.489  0.459  0.817  1.0
  Se  Se8  1  0.748  0.208  0.162  1.0
  Se  Se9  1  0.734  0.769  0.346  1.0
  Se  Se10  1  0.156  0.689  0.593  1.0
  Se  Se11  1  0.639  0.588  0.657  1.0
  Se  Se12  1  0.361  0.412  0.343  1.0
  Se  Se13  1  0.375  0.813  0.168  1.0
  Se  Se14  1  0.784  0.549  0.019  1.0
  Se  Se15  1  0.810  0.909  0.904  1.0
  Se  Se16  1  0.844  0.311  0.407  1.0
  Se  Se17  1  0.625  0.187  0.832  1.0
  Se  Se18  1  0.269  0.996  0.429  1.0
  Se  Se19  1  0.731  0.004  0.571  1.0
  Se  Se20  1  0.190  0.091  0.096  1.0
  Se  Se21  1  0.266  0.231  0.654  1.0
  Se  Se22  1  0.216  0.451  0.981  1.0
  Se  Se23  1  0.252  0.792  0.838  1.0
[/CIF]
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