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.
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. The Zn(1)-Te(1) bond length is 2.64 Å. All Zn(1)-O(1) bond lengths are 2.44 Å. 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. The Zn(2)-Te(2) bond length is 2.64 Å. All Zn(2)-Te(1) bond lengths are 2.61 Å. 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. The Zn(3)-Te(3) bond length is 2.63 Å. All Zn(3)-Te(2) bond lengths are 2.62 Å. 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. All Zn(4)-Te(3) bond lengths are 2.64 Å. The Zn(4)-O(1) bond length is 1.94 Å. 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.