SrMoO3 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. 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 corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. 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 corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Mo(2) atom.
SrMoO3 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(3), three equivalent O(1), and four equivalent O(2) atoms. There is one shorter (2.59 Å) and one longer (2.60 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.51-3.04 Å. There are a spread of Sr(1)-O(2) bond distances ranging from 2.68-3.12 Å. 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 corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. Both Mo(1)-O(1) bond lengths are 2.04 Å. Both Mo(1)-O(2) bond lengths are 2.04 Å. Both Mo(1)-O(3) bond lengths are 2.13 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 corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. Both Mo(2)-O(1) bond lengths are 2.13 Å. Both Mo(2)-O(2) bond lengths are 2.04 Å. Both Mo(2)-O(3) bond lengths are 2.04 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Mo(2) atom.