Ca3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Ca(2) and four equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing CaCa4In4 tetrahedra. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.
Ca3In is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Ca(2) and four equivalent In(1) atoms to form a mixture of distorted edge, face, and corner-sharing CaCa4In4 tetrahedra. All Ca(1)-Ca(2) bond lengths are 3.50 Å. All Ca(1)-In(1) bond lengths are 3.50 Å. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. In(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.