Zn4TeO3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one Te(1), one O(2), and two equivalent O(1) atoms. In the third Zn site, Zn(3) is bonded in a 2-coordinate geometry to two equivalent Te(1) and two equivalent O(1) atoms. Te(1) is bonded to two equivalent Zn(2) and two equivalent Zn(3) atoms to form TeZn4 tetrahedra that share corners with two equivalent Te(1)Zn4 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and corners with eight equivalent O(1)Zn4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted OZn4 trigonal pyramids that share corners with four equivalent Te(1)Zn4 tetrahedra, corners with four equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(1)Zn4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent Te(1)Zn4 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and corners with eight equivalent O(1)Zn4 trigonal pyramids.
Zn4TeO3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing ZnO4 tetrahedra. Both Zn(1)-O(1) bond lengths are 2.25 Å. Both Zn(1)-O(2) bond lengths are 2.10 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one Te(1), one O(2), and two equivalent O(1) atoms. The Zn(2)-Te(1) bond length is 2.55 Å. The Zn(2)-O(2) bond length is 2.09 Å. Both Zn(2)-O(1) bond lengths are 2.06 Å. In the third Zn site, Zn(3) is bonded in a 2-coordinate geometry to two equivalent Te(1) and two equivalent O(1) atoms. Both Zn(3)-Te(1) bond lengths are 2.58 Å. Both Zn(3)-O(1) bond lengths are 1.97 Å. Te(1) is bonded to two equivalent Zn(2) and two equivalent Zn(3) atoms to form TeZn4 tetrahedra that share corners with two equivalent Te(1)Zn4 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and corners with eight equivalent O(1)Zn4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted OZn4 trigonal pyramids that share corners with four equivalent Te(1)Zn4 tetrahedra, corners with four equivalent O(2)Zn4 tetrahedra, and corners with four equivalent O(1)Zn4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Zn(1) and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with two equivalent Te(1)Zn4 tetrahedra, corners with two equivalent O(2)Zn4 tetrahedra, and corners with eight equivalent O(1)Zn4 trigonal pyramids.