NiTeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 trigonal pyramids that share corners with eight equivalent Te(1)O6 octahedra and corners with two equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-83°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and corners with eight equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to two equivalent Ni(1) and two equivalent Te(1) atoms to form distorted corner-sharing ONi2Te2 trigonal pyramids.
NiTeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 trigonal pyramids that share corners with eight equivalent Te(1)O6 octahedra and corners with two equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-83°. Both Ni(1)-O(1) bond lengths are 2.01 Å. There is one shorter (2.05 Å) and one longer (2.17 Å) Ni(1)-O(2) bond length. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and corners with eight equivalent Ni(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 50-53°. Both Te(1)-O(2) bond lengths are 2.28 Å. There are two shorter (2.16 Å) and two longer (2.18 Å) Te(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Te(1) atoms. In the second O site, O(2) is bonded to two equivalent Ni(1) and two equivalent Te(1) atoms to form distorted corner-sharing ONi2Te2 trigonal pyramids.