Sr3(MoN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with five equivalent Sr(2)N6 octahedra, corners with six equivalent Mo(1)N4 tetrahedra, edges with six equivalent Sr(1)N6 octahedra, edges with three equivalent Mo(1)N4 tetrahedra, and  a faceface with one Sr(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 15-64°. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with ten equivalent Sr(1)N6 octahedra, corners with four equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Mo(1)N4 tetrahedra, and faces with two equivalent Sr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. Mo(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with six equivalent Sr(1)N6 octahedra, corners with two equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with three equivalent Sr(1)N6 octahedra, and  an edgeedge with one Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-79°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Mo(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms.
Sr3(MoN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with five equivalent Sr(2)N6 octahedra, corners with six equivalent Mo(1)N4 tetrahedra, edges with six equivalent Sr(1)N6 octahedra, edges with three equivalent Mo(1)N4 tetrahedra, and  a faceface with one Sr(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 15-64°. There is one shorter (2.70 Å) and one longer (2.75 Å) Sr(1)-N(2) bond length. There are a spread of Sr(1)-N(1) bond distances ranging from 2.72-2.98 Å. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with ten equivalent Sr(1)N6 octahedra, corners with four equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Mo(1)N4 tetrahedra, and faces with two equivalent Sr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. Both Sr(2)-N(1) bond lengths are 2.85 Å. There are two shorter (2.67 Å) and two longer (2.75 Å) Sr(2)-N(2) bond lengths. Mo(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with six equivalent Sr(1)N6 octahedra, corners with two equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with three equivalent Sr(1)N6 octahedra, and  an edgeedge with one Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-79°. There is one shorter (2.08 Å) and one longer (2.09 Å) Mo(1)-N(1) bond length. There is one shorter (1.97 Å) and one longer (2.03 Å) Mo(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Mo(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms.