The material described by Zr2Te crystallizes in the orthorhombic Pnma space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted L-shaped geometry to one Te(2) and one Te(3) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Te(2) and three equivalent Te(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 3-coordinate geometry to one Te(1) and two equivalent Te(3) atoms. In the fifth Zr site, Zr(5) is bonded to one Te(2), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted edge-sharing ZrTe5 trigonal bipyramids. In the sixth Zr site, Zr(6) is bonded in a 5-coordinate geometry to one Te(2), one Te(3), and three equivalent Te(1) atoms. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(6), two equivalent Zr(4), two equivalent Zr(5), and three equivalent Zr(3) atoms. In the second Te site, Te(1) is bonded in a 8-coordinate geometry to one Zr(4), two equivalent Zr(2), two equivalent Zr(5), and three equivalent Zr(6) atoms. In the third Te site, Te(2) is bonded to one Zr(1), one Zr(5), one Zr(6), two equivalent Zr(2), and two equivalent Zr(3) atoms to form distorted edge-sharing TeZr7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Zr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   10.726
_cell_length_c   20.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.133
_cell_formula_units_Z   12
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  0.250  0.609  0.985  1.0
  Zr  Zr1  1  0.750  0.391  0.015  1.0
  Zr  Zr2  1  0.750  0.109  0.515  1.0
  Zr  Zr3  1  0.250  0.891  0.485  1.0
  Zr  Zr4  1  0.250  0.078  0.645  1.0
  Zr  Zr5  1  0.750  0.922  0.355  1.0
  Zr  Zr6  1  0.750  0.578  0.855  1.0
  Zr  Zr7  1  0.250  0.422  0.145  1.0
  Zr  Zr8  1  0.250  0.389  0.533  1.0
  Zr  Zr9  1  0.750  0.611  0.467  1.0
  Zr  Zr10  1  0.750  0.889  0.967  1.0
  Zr  Zr11  1  0.250  0.111  0.033  1.0
  Zr  Zr12  1  0.250  0.147  0.395  1.0
  Zr  Zr13  1  0.750  0.853  0.605  1.0
  Zr  Zr14  1  0.750  0.647  0.105  1.0
  Zr  Zr15  1  0.250  0.353  0.895  1.0
  Zr  Zr16  1  0.250  0.459  0.342  1.0
  Zr  Zr17  1  0.750  0.541  0.658  1.0
  Zr  Zr18  1  0.750  0.959  0.158  1.0
  Zr  Zr19  1  0.250  0.041  0.842  1.0
  Zr  Zr20  1  0.250  0.752  0.224  1.0
  Zr  Zr21  1  0.750  0.248  0.776  1.0
  Zr  Zr22  1  0.750  0.252  0.276  1.0
  Zr  Zr23  1  0.250  0.748  0.724  1.0
  Te  Te24  1  0.250  0.463  0.760  1.0
  Te  Te25  1  0.750  0.537  0.240  1.0
  Te  Te26  1  0.750  0.963  0.740  1.0
  Te  Te27  1  0.250  0.037  0.260  1.0
  Te  Te28  1  0.250  0.780  0.870  1.0
  Te  Te29  1  0.750  0.220  0.130  1.0
  Te  Te30  1  0.750  0.280  0.630  1.0
  Te  Te31  1  0.250  0.720  0.370  1.0
  Te  Te32  1  0.250  0.662  0.573  1.0
  Te  Te33  1  0.750  0.338  0.427  1.0
  Te  Te34  1  0.750  0.162  0.927  1.0
  Te  Te35  1  0.250  0.838  0.073  1.0
[/CIF]
.
The material described by Zr2Te crystallizes in the orthorhombic Pnma space group. There are six inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted L-shaped geometry to one Te(2) and one Te(3) atom. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Te(2) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Te(2) and three equivalent Te(3) atoms. In the fourth Zr site, Zr(4) is bonded in a 3-coordinate geometry to one Te(1) and two equivalent Te(3) atoms. In the fifth Zr site, Zr(5) is bonded to one Te(2), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted edge-sharing ZrTe5 trigonal bipyramids. In the sixth Zr site, Zr(6) is bonded in a 5-coordinate geometry to one Te(2), one Te(3), and three equivalent Te(1) atoms. There are three inequivalent Te sites. In the first Te site, Te(3) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(6), two equivalent Zr(4), two equivalent Zr(5), and three equivalent Zr(3) atoms. In the second Te site, Te(1) is bonded in a 8-coordinate geometry to one Zr(4), two equivalent Zr(2), two equivalent Zr(5), and three equivalent Zr(6) atoms. In the third Te site, Te(2) is bonded to one Zr(1), one Zr(5), one Zr(6), two equivalent Zr(2), and two equivalent Zr(3) atoms to form distorted edge-sharing TeZr7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Zr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   10.726
_cell_length_c   20.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   830.133
_cell_formula_units_Z   12
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  0.250  0.609  0.985  1.0
  Zr  Zr1  1  0.750  0.391  0.015  1.0
  Zr  Zr2  1  0.750  0.109  0.515  1.0
  Zr  Zr3  1  0.250  0.891  0.485  1.0
  Zr  Zr4  1  0.250  0.078  0.645  1.0
  Zr  Zr5  1  0.750  0.922  0.355  1.0
  Zr  Zr6  1  0.750  0.578  0.855  1.0
  Zr  Zr7  1  0.250  0.422  0.145  1.0
  Zr  Zr8  1  0.250  0.389  0.533  1.0
  Zr  Zr9  1  0.750  0.611  0.467  1.0
  Zr  Zr10  1  0.750  0.889  0.967  1.0
  Zr  Zr11  1  0.250  0.111  0.033  1.0
  Zr  Zr12  1  0.250  0.147  0.395  1.0
  Zr  Zr13  1  0.750  0.853  0.605  1.0
  Zr  Zr14  1  0.750  0.647  0.105  1.0
  Zr  Zr15  1  0.250  0.353  0.895  1.0
  Zr  Zr16  1  0.250  0.459  0.342  1.0
  Zr  Zr17  1  0.750  0.541  0.658  1.0
  Zr  Zr18  1  0.750  0.959  0.158  1.0
  Zr  Zr19  1  0.250  0.041  0.842  1.0
  Zr  Zr20  1  0.250  0.752  0.224  1.0
  Zr  Zr21  1  0.750  0.248  0.776  1.0
  Zr  Zr22  1  0.750  0.252  0.276  1.0
  Zr  Zr23  1  0.250  0.748  0.724  1.0
  Te  Te24  1  0.250  0.463  0.760  1.0
  Te  Te25  1  0.750  0.537  0.240  1.0
  Te  Te26  1  0.750  0.963  0.740  1.0
  Te  Te27  1  0.250  0.037  0.260  1.0
  Te  Te28  1  0.250  0.780  0.870  1.0
  Te  Te29  1  0.750  0.220  0.130  1.0
  Te  Te30  1  0.750  0.280  0.630  1.0
  Te  Te31  1  0.250  0.720  0.370  1.0
  Te  Te32  1  0.250  0.662  0.573  1.0
  Te  Te33  1  0.750  0.338  0.427  1.0
  Te  Te34  1  0.750  0.162  0.927  1.0
  Te  Te35  1  0.250  0.838  0.073  1.0
[/CIF]
.