CsRe2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent N(2) atoms to form distorted edge-sharing CsN4 tetrahedra. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent N(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. In the second Re site, Re(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), and one N(1) atom. In the second N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one N(3) atom. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one Re(2) atom.
CsRe2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent N(2) atoms to form distorted edge-sharing CsN4 tetrahedra. There are two shorter (2.96 Å) and two longer (3.42 Å) Cs(1)-N(2) bond lengths. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent N(2) atoms. Both Cs(2)-N(2) bond lengths are 3.14 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. The Re(1)-N(2) bond length is 1.92 Å. The Re(1)-N(3) bond length is 1.98 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Re(1)-N(1) bond length. In the second Re site, Re(2) is bonded in a water-like geometry to one N(2) and one N(3) atom. The Re(2)-N(2) bond length is 1.95 Å. The Re(2)-N(3) bond length is 1.98 Å. There are three inequivalent N sites. In the first N site, N(3) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), and one N(1) atom. The N(3)-N(1) bond length is 1.34 Å. In the second N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one N(3) atom. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one Re(2) atom.