LiY(CN2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form LiN6 octahedra that share edges with two equivalent Li(1)N6 octahedra and edges with four equivalent Y(1)N6 octahedra. Y(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form YN6 octahedra that share edges with two equivalent Y(1)N6 octahedra and edges with four equivalent Li(1)N6 octahedra. C(1) is bonded in a linear 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 in a 4-coordinate geometry to one Li(1), two equivalent Y(1), and one C(1) atom. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Y(1), and one C(1) atom.
LiY(CN2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form LiN6 octahedra that share edges with two equivalent Li(1)N6 octahedra and edges with four equivalent Y(1)N6 octahedra. Both Li(1)-N(1) bond lengths are 2.59 Å. There are two shorter (2.29 Å) and two longer (2.47 Å) Li(1)-N(2) bond lengths. Y(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form YN6 octahedra that share edges with two equivalent Y(1)N6 octahedra and edges with four equivalent Li(1)N6 octahedra. Both Y(1)-N(2) bond lengths are 2.33 Å. There are two shorter (2.36 Å) and two longer (2.40 Å) Y(1)-N(1) bond lengths. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. The C(1)-N(1) bond length is 1.24 Å. The C(1)-N(2) bond length is 1.22 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Y(1), and one C(1) atom. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Y(1), and one C(1) atom.