NaTaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ta(1) atoms.
NaTaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. There is one shorter (2.38 Å) and one longer (2.57 Å) Na(1)-O(2) bond length. There are a spread of Na(1)-O(1) bond distances ranging from 2.39-2.72 Å. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. Both Ta(1)-O(2) bond lengths are 1.98 Å. All Ta(1)-O(1) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ta(1) atoms.