SrMoO3 is (Cubic) Perovskite-like structured and crystallizes in the triclinic P-1 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mo(1)O6 octahedra, and faces with four equivalent Mo(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mo(2)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
SrMoO3 is (Cubic) Perovskite-like structured and crystallizes in the triclinic P-1 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mo(1)O6 octahedra, and faces with four equivalent Mo(2)O6 octahedra. There are a spread of Sr(1)-O(1) bond distances ranging from 2.69-2.96 Å. There are two shorter (2.76 Å) and two longer (2.86 Å) Sr(1)-O(2) bond lengths. There are two shorter (2.73 Å) and two longer (2.91 Å) Sr(1)-O(3) bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mo(2)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Mo(1)-O(1) bond lengths are 1.98 Å. Both Mo(1)-O(2) bond lengths are 2.01 Å. Both Mo(1)-O(3) bond lengths are 1.98 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Mo(2)-O(1) bond lengths are 2.00 Å. Both Mo(2)-O(2) bond lengths are 2.00 Å. Both Mo(2)-O(3) bond lengths are 2.00 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°.