BaThO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Th(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ThO6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Th(1) atoms to form distorted corner-sharing OBa2Th2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Th(1) atoms.
BaThO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. There is one shorter (2.70 Å) and one longer (2.90 Å) Ba(1)-O(1) bond length. There are a spread of Ba(1)-O(2) bond distances ranging from 2.73-3.28 Å. Th(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing ThO6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. Both Th(1)-O(1) bond lengths are 2.33 Å. There are two shorter (2.32 Å) and two longer (2.33 Å) Th(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Th(1) atoms to form distorted corner-sharing OBa2Th2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Th(1) atoms.