The structure described by Zr5Te6 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Zr site, Zr(2) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third Zr site, Zr(3) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of corner and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth Zr site, Zr(4) is bonded to six equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a pentagonal planar geometry to one Zr(3), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the second Te site, Te(2) is bonded in a distorted pentagonal planar geometry to one Zr(3), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Zr(4), two equivalent Zr(1), and two equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr5Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.822
_cell_length_b   11.822
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   865.178
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.000  0.364  0.500  1.0
  Zr  Zr1  1  0.364  0.000  0.500  1.0
  Zr  Zr2  1  0.636  0.636  0.500  1.0
  Zr  Zr3  1  0.000  0.636  0.500  1.0
  Zr  Zr4  1  0.636  0.000  0.500  1.0
  Zr  Zr5  1  0.364  0.364  0.500  1.0
  Zr  Zr6  1  0.297  0.297  0.000  1.0
  Zr  Zr7  1  0.000  0.703  0.000  1.0
  Zr  Zr8  1  0.703  0.000  0.000  1.0
  Zr  Zr9  1  0.703  0.703  0.000  1.0
  Zr  Zr10  1  0.000  0.297  0.000  1.0
  Zr  Zr11  1  0.297  0.000  0.000  1.0
  Zr  Zr12  1  0.333  0.667  0.510  1.0
  Zr  Zr13  1  0.667  0.333  0.490  1.0
  Zr  Zr14  1  0.000  0.000  0.000  1.0
  Te  Te15  1  0.224  0.776  0.246  1.0
  Te  Te16  1  0.552  0.776  0.246  1.0
  Te  Te17  1  0.224  0.448  0.246  1.0
  Te  Te18  1  0.776  0.552  0.754  1.0
  Te  Te19  1  0.776  0.224  0.754  1.0
  Te  Te20  1  0.448  0.224  0.754  1.0
  Te  Te21  1  0.117  0.559  0.790  1.0
  Te  Te22  1  0.441  0.559  0.790  1.0
  Te  Te23  1  0.441  0.883  0.790  1.0
  Te  Te24  1  0.559  0.441  0.210  1.0
  Te  Te25  1  0.883  0.441  0.210  1.0
  Te  Te26  1  0.559  0.117  0.210  1.0
  Te  Te27  1  0.107  0.214  0.712  1.0
  Te  Te28  1  0.786  0.893  0.712  1.0
  Te  Te29  1  0.107  0.893  0.712  1.0
  Te  Te30  1  0.893  0.786  0.288  1.0
  Te  Te31  1  0.893  0.107  0.288  1.0
  Te  Te32  1  0.214  0.107  0.288  1.0
[/CIF]
.
The structure described by Zr5Te6 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Zr site, Zr(2) is bonded to two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms to form a mixture of distorted face, corner, and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third Zr site, Zr(3) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of corner and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth Zr site, Zr(4) is bonded to six equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing ZrTe6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a pentagonal planar geometry to one Zr(3), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the second Te site, Te(2) is bonded in a distorted pentagonal planar geometry to one Zr(3), two equivalent Zr(1), and two equivalent Zr(2) atoms. In the third Te site, Te(3) is bonded in a distorted pentagonal planar geometry to one Zr(4), two equivalent Zr(1), and two equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr5Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.822
_cell_length_b   11.822
_cell_length_c   7.148
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   865.178
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.000  0.364  0.500  1.0
  Zr  Zr1  1  0.364  0.000  0.500  1.0
  Zr  Zr2  1  0.636  0.636  0.500  1.0
  Zr  Zr3  1  0.000  0.636  0.500  1.0
  Zr  Zr4  1  0.636  0.000  0.500  1.0
  Zr  Zr5  1  0.364  0.364  0.500  1.0
  Zr  Zr6  1  0.297  0.297  0.000  1.0
  Zr  Zr7  1  0.000  0.703  0.000  1.0
  Zr  Zr8  1  0.703  0.000  0.000  1.0
  Zr  Zr9  1  0.703  0.703  0.000  1.0
  Zr  Zr10  1  0.000  0.297  0.000  1.0
  Zr  Zr11  1  0.297  0.000  0.000  1.0
  Zr  Zr12  1  0.333  0.667  0.510  1.0
  Zr  Zr13  1  0.667  0.333  0.490  1.0
  Zr  Zr14  1  0.000  0.000  0.000  1.0
  Te  Te15  1  0.224  0.776  0.246  1.0
  Te  Te16  1  0.552  0.776  0.246  1.0
  Te  Te17  1  0.224  0.448  0.246  1.0
  Te  Te18  1  0.776  0.552  0.754  1.0
  Te  Te19  1  0.776  0.224  0.754  1.0
  Te  Te20  1  0.448  0.224  0.754  1.0
  Te  Te21  1  0.117  0.559  0.790  1.0
  Te  Te22  1  0.441  0.559  0.790  1.0
  Te  Te23  1  0.441  0.883  0.790  1.0
  Te  Te24  1  0.559  0.441  0.210  1.0
  Te  Te25  1  0.883  0.441  0.210  1.0
  Te  Te26  1  0.559  0.117  0.210  1.0
  Te  Te27  1  0.107  0.214  0.712  1.0
  Te  Te28  1  0.786  0.893  0.712  1.0
  Te  Te29  1  0.107  0.893  0.712  1.0
  Te  Te30  1  0.893  0.786  0.288  1.0
  Te  Te31  1  0.893  0.107  0.288  1.0
  Te  Te32  1  0.214  0.107  0.288  1.0
[/CIF]
.