Ca2CdSb2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one Cd(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to four equivalent Cd(1), one Sb(2), and four equivalent Sb(1) atoms. Cd(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Ca(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent Cd(1) atoms.
Ca2CdSb2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one Cd(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. The Ca(1)-Cd(1) bond length is 3.66 Å. Both Ca(1)-Sb(1) bond lengths are 3.27 Å. There are a spread of Ca(1)-Sb(2) bond distances ranging from 3.20-3.83 Å. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to four equivalent Cd(1), one Sb(2), and four equivalent Sb(1) atoms. There are two shorter (3.39 Å) and two longer (3.60 Å) Ca(2)-Cd(1) bond lengths. The Ca(2)-Sb(2) bond length is 3.15 Å. There are two shorter (3.19 Å) and two longer (3.23 Å) Ca(2)-Sb(1) bond lengths. Cd(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Ca(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. There is one shorter (2.91 Å) and one longer (3.01 Å) Cd(1)-Sb(1) bond length. Both Cd(1)-Sb(2) bond lengths are 2.84 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent Cd(1) atoms.