Ca3Mn 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 Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing CaCa4Mn4 tetrahedra. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Ca(1) atoms. Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.
Ca3Mn 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 Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing CaCa4Mn4 tetrahedra. All Ca(1)-Ca(2) bond lengths are 3.46 Å. All Ca(1)-Mn(1) bond lengths are 3.46 Å. In the second Ca site, Ca(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Ca(1) atoms. Mn(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms.