Ca4Sb2S crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. S(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms.
Ca4Sb2S crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 6-coordinate geometry to four equivalent Sb(1) and two equivalent S(1) atoms. There are a spread of Ca(1)-Sb(1) bond distances ranging from 3.07-3.43 Å. There is one shorter (2.95 Å) and one longer (3.47 Å) Ca(1)-S(1) bond length. Sb(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms. S(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(1) atoms.