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LiCd is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two LiCd frameworks. Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 2.92 Å. Cd is bonded to four equivalent Li atoms to form distorted corner-sharing CdLi4 tetrahedra.
LiCd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Cd atoms to form a mixture of face and corner-sharing LiCd12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.09 Å) Li–Cd bond lengths. Cd is bonded in a distorted see-saw-like geometry to four equivalent Li atoms.
Li3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Cd4 tetrahedra. All Li–Li bond lengths are 2.89 Å. All Li–Cd bond lengths are 2.89 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Cd atoms. All Li–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to fourteen Li atoms.
LiCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (2.99 Å) and six longer (3.45 Å) Li–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Li and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdLi4Cd4 tetrahedra. All Cd–Cd bond lengths are 2.99 Å. In the second Cd site, Cd is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Cd atoms.
Li3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Cd atoms to form distorted LiLi8Cd4 cuboctahedra that share corners with twelve equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with ten equivalent LiLi8Cd4 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.01 Å) Li–Li bond lengths. All Li–Cd bond lengths are 3.01 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to eight equivalent Li and four equivalent Cd atoms. All Li–Cd bond lengths are 2.92 Å. Cd is bonded to twelve Li atoms to form CdLi12 cuboctahedra that share corners with four equivalent CdLi12 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, edges with sixteen equivalent LiLi8Cd4 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with eight equivalent LiLi8Cd4 cuboctahedra.
Li3Cd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to three equivalent Li and three equivalent Cd atoms. All Li–Li bond lengths are 3.00 Å. All Li–Cd bond lengths are 2.95 Å. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, corner, and face-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.16 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to three equivalent Li and three equivalent Cd atoms. All Li–Li bond lengths are 3.00 Å. All Li–Cd bond lengths are 2.95 Å. In the fourth Li site, Li is bonded to sixteen Li atoms to form a mixture of edge, corner, and face-sharing LiLi16 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.00–6.32 Å. In the fifth Li site, Li is bonded in a 12-coordinate geometry to three equivalent Li and three equivalent Cd atoms. All Li–Cd bond lengths are 2.95 Å. Cd is bonded in a 12-coordinate geometry to six equivalent Li atoms.
Li2Cd is Calaverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three equivalent Cd atoms. All Li–Cd bond lengths are 2.78 Å. Cd is bonded to six equivalent Li atoms to form edge-sharing CdLi6 octahedra.
LiCd3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to six equivalent Cd atoms. There are four shorter (2.91 Å) and two longer (2.92 Å) Li–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form a mixture of edge, corner, and face-sharing CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.15–3.18 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Li and three equivalent Cd atoms.