Sr3Sc2N4 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(1) and two equivalent N(2) atoms to form distorted SrN4 trigonal pyramids that share corners with four equivalent Sr(2)N6 octahedra, corners with six equivalent Sc(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-71°. 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 four equivalent Sc(1)N4 tetrahedra, corners with eight equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ScN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Sc(1)N4 tetrahedra, corners with six equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and  an edgeedge with one Sr(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-54°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Sc(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 Sc(1) atoms.
Sr3Sc2N4 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(1) and two equivalent N(2) atoms to form distorted SrN4 trigonal pyramids that share corners with four equivalent Sr(2)N6 octahedra, corners with six equivalent Sc(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-71°. There is one shorter (2.60 Å) and one longer (2.75 Å) Sr(1)-N(1) bond length. There is one shorter (2.65 Å) and one longer (2.72 Å) Sr(1)-N(2) bond length. 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 four equivalent Sc(1)N4 tetrahedra, corners with eight equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. Both Sr(2)-N(1) bond lengths are 2.78 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Sr(2)-N(2) bond lengths. Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ScN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Sc(1)N4 tetrahedra, corners with six equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and  an edgeedge with one Sr(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-54°. There is one shorter (2.11 Å) and one longer (2.17 Å) Sc(1)-N(1) bond length. Both Sc(1)-N(2) bond lengths are 2.13 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Sc(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 Sc(1) atoms.