ThMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Th(1) is bonded to twelve equivalent O(1) atoms to form ThO12 cuboctahedra that share corners with twelve equivalent Th(1)O12 cuboctahedra, faces with six equivalent Th(1)O12 cuboctahedra, and faces with eight equivalent Mo(1)O6 octahedra. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Th(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Th(1) and two equivalent Mo(1) atoms to form a mixture of distorted edge, face, and corner-sharing OTh4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
ThMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Th(1) is bonded to twelve equivalent O(1) atoms to form ThO12 cuboctahedra that share corners with twelve equivalent Th(1)O12 cuboctahedra, faces with six equivalent Th(1)O12 cuboctahedra, and faces with eight equivalent Mo(1)O6 octahedra. All Th(1)-O(1) bond lengths are 2.91 Å. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Th(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Mo(1)-O(1) bond lengths are 2.05 Å. O(1) is bonded to four equivalent Th(1) and two equivalent Mo(1) atoms to form a mixture of distorted edge, face, and corner-sharing OTh4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.