Li3RhN2 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one N(1) and one N(2) atom. Rh(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form a mixture of distorted corner and edge-sharing NLi5Rh pentagonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Rh(1), and one N(2) atom.
Li3RhN2 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.02 Å) and one longer (2.07 Å) Li(1)-N(1) bond length. There is one shorter (2.19 Å) and one longer (2.24 Å) Li(1)-N(2) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. There is one shorter (2.14 Å) and one longer (2.20 Å) Li(2)-N(1) bond length. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one N(1) and one N(2) atom. The Li(3)-N(1) bond length is 2.01 Å. The Li(3)-N(2) bond length is 2.63 Å. Rh(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. The Rh(1)-N(1) bond length is 1.85 Å. The Rh(1)-N(2) bond length is 1.88 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form a mixture of distorted corner and edge-sharing NLi5Rh pentagonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Rh(1), and one N(2) atom. The N(2)-N(2) bond length is 1.21 Å.