Mn4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N5 trigonal bipyramids, edges with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and  an edgeedge with one Mn(4)N5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one N(2), one N(3), one N(4), and two equivalent N(1) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and edges with three equivalent Mn(4)N5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded to one N(1), one N(2), one N(3), and two equivalent N(4) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(4)N5 trigonal bipyramid, and edges with three equivalent Mn(3)N5 trigonal bipyramids. Sn(1) is bonded in a 1-coordinate geometry to one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(3) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form distorted NMn5 square pyramids that share corners with two equivalent N(4)Mn5Sn octahedra,  an edgeedge with one N(3)Mn5 square pyramid, and  a faceface with one N(4)Mn5Sn octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and one Sn(1) atom to form distorted NMn5Sn octahedra that share corners with two equivalent N(3)Mn5 square pyramids, edges with two equivalent N(4)Mn5Sn octahedra, and  a faceface with one N(3)Mn5 square pyramid.
Mn4SnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), and two equivalent N(4) atoms. The Mn(1)-N(1) bond length is 1.93 Å. The Mn(1)-N(2) bond length is 2.12 Å. The Mn(1)-N(3) bond length is 2.03 Å. There is one shorter (2.04 Å) and one longer (2.24 Å) Mn(1)-N(4) bond length. In the second Mn site, Mn(2) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted MnN4 tetrahedra that share corners with two equivalent Mn(3)N5 trigonal bipyramids, corners with two equivalent Mn(4)N5 trigonal bipyramids, edges with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and  an edgeedge with one Mn(4)N5 trigonal bipyramid. There is one shorter (1.91 Å) and one longer (1.92 Å) Mn(2)-N(2) bond length. There is one shorter (1.95 Å) and one longer (2.04 Å) Mn(2)-N(3) bond length. In the third Mn site, Mn(3) is bonded to one N(2), one N(3), one N(4), and two equivalent N(1) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(3)N5 trigonal bipyramid, and edges with three equivalent Mn(4)N5 trigonal bipyramids. The Mn(3)-N(2) bond length is 2.13 Å. The Mn(3)-N(3) bond length is 1.96 Å. The Mn(3)-N(4) bond length is 2.00 Å. There is one shorter (1.90 Å) and one longer (1.92 Å) Mn(3)-N(1) bond length. In the fourth Mn site, Mn(4) is bonded to one N(1), one N(2), one N(3), and two equivalent N(4) atoms to form distorted MnN5 trigonal bipyramids that share corners with two equivalent Mn(2)N4 tetrahedra,  an edgeedge with one Mn(2)N4 tetrahedra,  an edgeedge with one Mn(4)N5 trigonal bipyramid, and edges with three equivalent Mn(3)N5 trigonal bipyramids. The Mn(4)-N(1) bond length is 1.86 Å. The Mn(4)-N(2) bond length is 2.17 Å. The Mn(4)-N(3) bond length is 2.02 Å. There is one shorter (1.97 Å) and one longer (2.07 Å) Mn(4)-N(4) bond length. Sn(1) is bonded in a 1-coordinate geometry to one N(4) atom. The Sn(1)-N(4) bond length is 2.50 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), and two equivalent Mn(3) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form distorted NMn5 square pyramids that share corners with two equivalent N(4)Mn5Sn octahedra,  an edgeedge with one N(3)Mn5 square pyramid, and  a faceface with one N(4)Mn5Sn octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fourth N site, N(4) is bonded to one Mn(3), two equivalent Mn(1), two equivalent Mn(4), and one Sn(1) atom to form distorted NMn5Sn octahedra that share corners with two equivalent N(3)Mn5 square pyramids, edges with two equivalent N(4)Mn5Sn octahedra, and  a faceface with one N(3)Mn5 square pyramid.