Sr2MgMoO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 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 0-15°. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OSr4MgMo octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Mg(1), and one Mo(1) atom.
Sr2MgMoO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mg(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.82 Å. There are four shorter (2.66 Å) and four longer (3.02 Å) Sr(1)-O(2) bond lengths. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 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 0-15°. Both Mg(1)-O(1) bond lengths are 2.08 Å. All Mg(1)-O(2) bond lengths are 2.08 Å. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. Both Mo(1)-O(1) bond lengths are 1.94 Å. All Mo(1)-O(2) bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OSr4MgMo octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Mg(1), and one Mo(1) atom.