The crystal structure described by Zr3Te crystallizes in the tetragonal I-4 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent Te(1) atoms. In the second Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. In the third Zr site, Zr(2) is bonded to four equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing ZrTe4 tetrahedra. Te(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   8.542
_cell_length_c   8.542
_cell_angle_alpha   83.695
_cell_angle_beta   70.646
_cell_angle_gamma   70.646
_symmetry_Int_Tables_number   1
_cell_volume   367.778
_cell_formula_units_Z   4
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  0.294  0.020  0.815  1.0
  Zr  Zr1  1  0.892  0.815  0.980  1.0
  Zr  Zr2  1  0.686  0.185  0.020  1.0
  Zr  Zr3  1  0.129  0.980  0.185  1.0
  Zr  Zr4  1  0.337  0.660  0.622  1.0
  Zr  Zr5  1  0.040  0.622  0.340  1.0
  Zr  Zr6  1  0.003  0.378  0.660  1.0
  Zr  Zr7  1  0.620  0.340  0.378  1.0
  Zr  Zr8  1  0.949  0.031  0.597  1.0
  Zr  Zr9  1  0.454  0.597  0.969  1.0
  Zr  Zr10  1  0.020  0.403  0.031  1.0
  Zr  Zr11  1  0.577  0.969  0.403  1.0
  Te  Te12  1  0.765  0.744  0.679  1.0
  Te  Te13  1  0.555  0.679  0.256  1.0
  Te  Te14  1  0.491  0.321  0.744  1.0
  Te  Te15  1  0.189  0.256  0.321  1.0
[/CIF]
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The crystal structure described by Zr3Te crystallizes in the tetragonal I-4 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent Te(1) atoms. In the second Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. In the third Zr site, Zr(2) is bonded to four equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing ZrTe4 tetrahedra. Te(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   8.542
_cell_length_c   8.542
_cell_angle_alpha   83.695
_cell_angle_beta   70.646
_cell_angle_gamma   70.646
_symmetry_Int_Tables_number   1
_cell_volume   367.778
_cell_formula_units_Z   4
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  0.294  0.020  0.815  1.0
  Zr  Zr1  1  0.892  0.815  0.980  1.0
  Zr  Zr2  1  0.686  0.185  0.020  1.0
  Zr  Zr3  1  0.129  0.980  0.185  1.0
  Zr  Zr4  1  0.337  0.660  0.622  1.0
  Zr  Zr5  1  0.040  0.622  0.340  1.0
  Zr  Zr6  1  0.003  0.378  0.660  1.0
  Zr  Zr7  1  0.620  0.340  0.378  1.0
  Zr  Zr8  1  0.949  0.031  0.597  1.0
  Zr  Zr9  1  0.454  0.597  0.969  1.0
  Zr  Zr10  1  0.020  0.403  0.031  1.0
  Zr  Zr11  1  0.577  0.969  0.403  1.0
  Te  Te12  1  0.765  0.744  0.679  1.0
  Te  Te13  1  0.555  0.679  0.256  1.0
  Te  Te14  1  0.491  0.321  0.744  1.0
  Te  Te15  1  0.189  0.256  0.321  1.0
[/CIF]
.