The material structure described by Zn4Te3O crystallizes in the trigonal R3m space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Te(1) and three equivalent O(1) atoms to form distorted ZnTeO3 trigonal pyramids that share corners with three equivalent Zn(2)Te4 tetrahedra and corners with six equivalent Zn(1)TeO3 trigonal pyramids. In the second Zn site, Zn(2) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with three equivalent Zn(3)Te4 tetrahedra, corners with six equivalent Zn(2)Te4 tetrahedra, and corners with three equivalent Zn(1)TeO3 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing ZnTe4 tetrahedra. In the fourth Zn site, Zn(4) is bonded in a distorted single-bond geometry to three equivalent Te(3) and one O(1) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form TeZn4 tetrahedra that share corners with three equivalent Te(2)Zn4 tetrahedra, corners with six equivalent Te(1)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 trigonal pyramids. In the second Te site, Te(2) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form corner-sharing TeZn4 tetrahedra. In the third Te site, Te(3) is bonded to one Zn(3) and three equivalent Zn(4) atoms to form TeZn4 tetrahedra that share corners with three equivalent Te(2)Zn4 tetrahedra, corners with six equivalent Te(3)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 trigonal pyramids. O(1) is bonded to one Zn(4) and three equivalent Zn(1) atoms to form distorted OZn4 trigonal pyramids that share corners with three equivalent Te(1)Zn4 tetrahedra, corners with three equivalent Te(3)Zn4 tetrahedra, and corners with six equivalent O(1)Zn4 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn4Te3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.169
_cell_length_b   4.169
_cell_length_c   13.629
_cell_angle_alpha   98.799
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   201.953
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.989  0.977  0.966  1.0
  Zn  Zn1  1  0.746  0.492  0.239  1.0
  Zn  Zn2  1  0.504  0.009  0.513  1.0
  Zn  Zn3  1  0.263  0.527  0.790  1.0
  Te  Te4  1  0.054  0.109  0.163  1.0
  Te  Te5  1  0.812  0.624  0.436  1.0
  Te  Te6  1  0.570  0.139  0.709  1.0
  O  O7  1  0.312  0.623  0.935  1.0
[/CIF]
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The material structure described by Zn4Te3O crystallizes in the trigonal R3m space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Te(1) and three equivalent O(1) atoms to form distorted ZnTeO3 trigonal pyramids that share corners with three equivalent Zn(2)Te4 tetrahedra and corners with six equivalent Zn(1)TeO3 trigonal pyramids. In the second Zn site, Zn(2) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with three equivalent Zn(3)Te4 tetrahedra, corners with six equivalent Zn(2)Te4 tetrahedra, and corners with three equivalent Zn(1)TeO3 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one Te(3) and three equivalent Te(2) atoms to form corner-sharing ZnTe4 tetrahedra. In the fourth Zn site, Zn(4) is bonded in a distorted single-bond geometry to three equivalent Te(3) and one O(1) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form TeZn4 tetrahedra that share corners with three equivalent Te(2)Zn4 tetrahedra, corners with six equivalent Te(1)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 trigonal pyramids. In the second Te site, Te(2) is bonded to one Zn(2) and three equivalent Zn(3) atoms to form corner-sharing TeZn4 tetrahedra. In the third Te site, Te(3) is bonded to one Zn(3) and three equivalent Zn(4) atoms to form TeZn4 tetrahedra that share corners with three equivalent Te(2)Zn4 tetrahedra, corners with six equivalent Te(3)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 trigonal pyramids. O(1) is bonded to one Zn(4) and three equivalent Zn(1) atoms to form distorted OZn4 trigonal pyramids that share corners with three equivalent Te(1)Zn4 tetrahedra, corners with three equivalent Te(3)Zn4 tetrahedra, and corners with six equivalent O(1)Zn4 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn4Te3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.169
_cell_length_b   4.169
_cell_length_c   13.629
_cell_angle_alpha   98.799
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   201.953
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.989  0.977  0.966  1.0
  Zn  Zn1  1  0.746  0.492  0.239  1.0
  Zn  Zn2  1  0.504  0.009  0.513  1.0
  Zn  Zn3  1  0.263  0.527  0.790  1.0
  Te  Te4  1  0.054  0.109  0.163  1.0
  Te  Te5  1  0.812  0.624  0.436  1.0
  Te  Te6  1  0.570  0.139  0.709  1.0
  O  O7  1  0.312  0.623  0.935  1.0
[/CIF]
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