Sr2MgTiMoO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgTiMo trigonal bipyramids.
Sr2MgTiMoO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. There is one shorter (2.56 Å) and one longer (2.64 Å) Sr(1)-O(1) bond length. There is one shorter (2.58 Å) and one longer (2.67 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(2) bond distances ranging from 2.65-3.15 Å. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Mg(1)-O(2) bond lengths are 1.99 Å. Both Mg(1)-O(3) bond lengths are 2.03 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. Both Ti(1)-O(1) bond lengths are 2.19 Å. Both Ti(1)-O(2) bond lengths are 2.02 Å. Both Ti(1)-O(3) bond lengths are 2.00 Å. 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. Both Mo(1)-O(1) bond lengths are 2.30 Å. Both Mo(1)-O(2) bond lengths are 2.14 Å. Both Mo(1)-O(3) bond lengths are 2.12 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgTiMo trigonal bipyramids.