The material structure described by Zr4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the third Zr site, Zr(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. N(1) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(3) atoms to form NZr4 tetrahedra that share corners with four equivalent Te(1)Zr6 pentagonal pyramids,  an edgeedge with one Te(1)Zr6 pentagonal pyramid, and edges with two equivalent N(1)Zr4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zr(2) and four equivalent Zr(3) atoms to form distorted TeZr6 pentagonal pyramids that share corners with eight equivalent N(1)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, and faces with two equivalent Te(1)Zr6 pentagonal pyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Zr(2), two equivalent Zr(1), and two equivalent Zr(3) atoms. is represented by the CIF file [CIF]
data_Zr4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.394
_cell_length_b   10.413
_cell_length_c   10.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.804
_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  0.539  0.250  0.825  1.0
  Zr  Zr1  1  0.039  0.250  0.675  1.0
  Zr  Zr2  1  0.461  0.750  0.175  1.0
  Zr  Zr3  1  0.961  0.750  0.325  1.0
  Zr  Zr4  1  0.709  0.250  0.484  1.0
  Zr  Zr5  1  0.209  0.250  0.016  1.0
  Zr  Zr6  1  0.291  0.750  0.516  1.0
  Zr  Zr7  1  0.791  0.750  0.984  1.0
  Zr  Zr8  1  0.598  0.430  0.116  1.0
  Zr  Zr9  1  0.098  0.070  0.384  1.0
  Zr  Zr10  1  0.402  0.930  0.884  1.0
  Zr  Zr11  1  0.902  0.570  0.616  1.0
  Zr  Zr12  1  0.402  0.570  0.884  1.0
  Zr  Zr13  1  0.902  0.930  0.616  1.0
  Zr  Zr14  1  0.598  0.070  0.116  1.0
  Zr  Zr15  1  0.098  0.430  0.384  1.0
  Te  Te16  1  0.885  0.250  0.204  1.0
  Te  Te17  1  0.385  0.250  0.296  1.0
  Te  Te18  1  0.115  0.750  0.796  1.0
  Te  Te19  1  0.615  0.750  0.704  1.0
  Te  Te20  1  0.635  0.576  0.374  1.0
  Te  Te21  1  0.135  0.924  0.126  1.0
  Te  Te22  1  0.365  0.076  0.626  1.0
  Te  Te23  1  0.865  0.424  0.874  1.0
  Te  Te24  1  0.365  0.424  0.626  1.0
  Te  Te25  1  0.865  0.076  0.874  1.0
  Te  Te26  1  0.635  0.924  0.374  1.0
  Te  Te27  1  0.135  0.576  0.126  1.0
  N  N28  1  0.597  0.615  0.034  1.0
  N  N29  1  0.097  0.885  0.466  1.0
  N  N30  1  0.403  0.115  0.966  1.0
  N  N31  1  0.903  0.385  0.534  1.0
  N  N32  1  0.403  0.385  0.966  1.0
  N  N33  1  0.903  0.115  0.534  1.0
  N  N34  1  0.597  0.885  0.034  1.0
  N  N35  1  0.097  0.615  0.466  1.0
[/CIF]
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The material structure described by Zr4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to two equivalent N(1) and four equivalent Te(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the third Zr site, Zr(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), two equivalent Te(1), and two equivalent Te(2) atoms. N(1) is bonded to one Zr(1), one Zr(2), and two equivalent Zr(3) atoms to form NZr4 tetrahedra that share corners with four equivalent Te(1)Zr6 pentagonal pyramids,  an edgeedge with one Te(1)Zr6 pentagonal pyramid, and edges with two equivalent N(1)Zr4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zr(2) and four equivalent Zr(3) atoms to form distorted TeZr6 pentagonal pyramids that share corners with eight equivalent N(1)Zr4 tetrahedra, edges with two equivalent N(1)Zr4 tetrahedra, and faces with two equivalent Te(1)Zr6 pentagonal pyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Zr(2), two equivalent Zr(1), and two equivalent Zr(3) atoms. is represented by the CIF file [CIF]
data_Zr4Te3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.394
_cell_length_b   10.413
_cell_length_c   10.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.804
_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  0.539  0.250  0.825  1.0
  Zr  Zr1  1  0.039  0.250  0.675  1.0
  Zr  Zr2  1  0.461  0.750  0.175  1.0
  Zr  Zr3  1  0.961  0.750  0.325  1.0
  Zr  Zr4  1  0.709  0.250  0.484  1.0
  Zr  Zr5  1  0.209  0.250  0.016  1.0
  Zr  Zr6  1  0.291  0.750  0.516  1.0
  Zr  Zr7  1  0.791  0.750  0.984  1.0
  Zr  Zr8  1  0.598  0.430  0.116  1.0
  Zr  Zr9  1  0.098  0.070  0.384  1.0
  Zr  Zr10  1  0.402  0.930  0.884  1.0
  Zr  Zr11  1  0.902  0.570  0.616  1.0
  Zr  Zr12  1  0.402  0.570  0.884  1.0
  Zr  Zr13  1  0.902  0.930  0.616  1.0
  Zr  Zr14  1  0.598  0.070  0.116  1.0
  Zr  Zr15  1  0.098  0.430  0.384  1.0
  Te  Te16  1  0.885  0.250  0.204  1.0
  Te  Te17  1  0.385  0.250  0.296  1.0
  Te  Te18  1  0.115  0.750  0.796  1.0
  Te  Te19  1  0.615  0.750  0.704  1.0
  Te  Te20  1  0.635  0.576  0.374  1.0
  Te  Te21  1  0.135  0.924  0.126  1.0
  Te  Te22  1  0.365  0.076  0.626  1.0
  Te  Te23  1  0.865  0.424  0.874  1.0
  Te  Te24  1  0.365  0.424  0.626  1.0
  Te  Te25  1  0.865  0.076  0.874  1.0
  Te  Te26  1  0.635  0.924  0.374  1.0
  Te  Te27  1  0.135  0.576  0.126  1.0
  N  N28  1  0.597  0.615  0.034  1.0
  N  N29  1  0.097  0.885  0.466  1.0
  N  N30  1  0.403  0.115  0.966  1.0
  N  N31  1  0.903  0.385  0.534  1.0
  N  N32  1  0.403  0.385  0.966  1.0
  N  N33  1  0.903  0.115  0.534  1.0
  N  N34  1  0.597  0.885  0.034  1.0
  N  N35  1  0.097  0.615  0.466  1.0
[/CIF]
.