CsMn2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing MnN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one Mn(1), and one Mn(2) atom. In the third N site, N(2) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom.
CsMn2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Cs(1)-N(2) bond lengths are 3.17 Å. There are two shorter (3.07 Å) and two longer (3.28 Å) Cs(1)-N(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Both Cs(2)-N(2) bond lengths are 3.20 Å. Both Cs(2)-N(3) bond lengths are 3.48 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and one N(3) atom. The Mn(1)-N(1) bond length is 1.74 Å. The Mn(1)-N(2) bond length is 1.74 Å. The Mn(1)-N(3) bond length is 1.80 Å. In the second Mn site, Mn(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing MnN4 tetrahedra. The Mn(2)-N(1) bond length is 1.78 Å. The Mn(2)-N(2) bond length is 1.75 Å. There is one shorter (1.83 Å) and one longer (1.89 Å) Mn(2)-N(3) bond length. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 3-coordinate geometry to one Cs(2), one Mn(1), and two equivalent Mn(2) atoms. In the second N site, N(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), one Mn(1), and one Mn(2) atom. In the third N site, N(2) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one Mn(1), and one Mn(2) atom.