Ca5(PdGe)6 crystallizes in the cubic Im-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ge(1) atoms to form face-sharing CaGe6 octahedra. In the second Ca site, Ca(2) is bonded to six equivalent Pd(1) and six equivalent Ge(1) atoms to form CaGe6Pd6 cuboctahedra that share corners with twelve equivalent Ca(2)Ge6Pd6 cuboctahedra, faces with six equivalent Ca(2)Ge6Pd6 cuboctahedra, and faces with two equivalent Ca(1)Ge6 octahedra. Pd(1) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Ge(1) atoms. Ge(1) is bonded in a 10-coordinate geometry to one Ca(1), four equivalent Ca(2), four equivalent Pd(1), and one Ge(1) atom.
Ca5(PdGe)6 crystallizes in the cubic Im-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to six equivalent Ge(1) atoms to form face-sharing CaGe6 octahedra. All Ca(1)-Ge(1) bond lengths are 3.06 Å. In the second Ca site, Ca(2) is bonded to six equivalent Pd(1) and six equivalent Ge(1) atoms to form CaGe6Pd6 cuboctahedra that share corners with twelve equivalent Ca(2)Ge6Pd6 cuboctahedra, faces with six equivalent Ca(2)Ge6Pd6 cuboctahedra, and faces with two equivalent Ca(1)Ge6 octahedra. All Ca(2)-Pd(1) bond lengths are 3.11 Å. All Ca(2)-Ge(1) bond lengths are 3.22 Å. Pd(1) is bonded in a 8-coordinate geometry to four equivalent Ca(2) and four equivalent Ge(1) atoms. All Pd(1)-Ge(1) bond lengths are 2.57 Å. Ge(1) is bonded in a 10-coordinate geometry to one Ca(1), four equivalent Ca(2), four equivalent Pd(1), and one Ge(1) atom. The Ge(1)-Ge(1) bond length is 2.67 Å.