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CdCa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
CaCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Ca–Cd bond distances ranging from 3.45–3.57 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Ca and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.01 Å. In the second Cd site, Cd is bonded to six equivalent Ca and six Cd atoms to form a mixture of edge, face, and corner-sharing CdCa6Cd6 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.13 Å) Cd–Cd bond lengths.
Ca3Cd2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Ca–Cd bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Cd atoms. All Ca–Cd bond lengths are 3.55 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Cd atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Ca–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to eight Ca and two equivalent Cd atoms. There are one shorter (3.14 Å) and one longer (3.16 Å) Cd–Cd bond lengths.
CaCd3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Cd atoms to form a mixture of face and corner-sharing CaCd12 cuboctahedra. There are six shorter (3.26 Å) and six longer (3.38 Å) Ca–Cd bond lengths. Cd is bonded in a 4-coordinate geometry to four equivalent Ca atoms.