The material described by ZrTeSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Se(1) atoms. Te(1) is bonded to four equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing TeZr4 tetrahedra. Se(1) is bonded in a distorted single-bond geometry to five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   4.604
_cell_length_c   7.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.403
_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
  Zr  Zr0  1  0.250  0.250  0.258  1.0
  Zr  Zr1  1  0.750  0.750  0.742  1.0
  Te  Te2  1  0.250  0.750  0.000  1.0
  Te  Te3  1  0.750  0.250  0.000  1.0
  Se  Se4  1  0.250  0.250  0.629  1.0
  Se  Se5  1  0.750  0.750  0.371  1.0
[/CIF]
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The material described by ZrTeSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Se(1) atoms. Te(1) is bonded to four equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing TeZr4 tetrahedra. Se(1) is bonded in a distorted single-bond geometry to five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   4.604
_cell_length_c   7.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.403
_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
  Zr  Zr0  1  0.250  0.250  0.258  1.0
  Zr  Zr1  1  0.750  0.750  0.742  1.0
  Te  Te2  1  0.250  0.750  0.000  1.0
  Te  Te3  1  0.750  0.250  0.000  1.0
  Se  Se4  1  0.250  0.250  0.629  1.0
  Se  Se5  1  0.750  0.750  0.371  1.0
[/CIF]
.