CaAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ca(1) is bonded to four equivalent Au(1) and six equivalent Bi(1) atoms to form a mixture of distorted face and corner-sharing CaBi6Au4 tetrahedra. Au(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Au(1) atoms.
CaAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ca(1) is bonded to four equivalent Au(1) and six equivalent Bi(1) atoms to form a mixture of distorted face and corner-sharing CaBi6Au4 tetrahedra. All Ca(1)-Au(1) bond lengths are 3.00 Å. All Ca(1)-Bi(1) bond lengths are 3.46 Å. Au(1) is bonded in a body-centered cubic geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. All Au(1)-Bi(1) bond lengths are 3.00 Å. Bi(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Au(1) atoms.