CaTa2Tl crystallizes in the cubic F-43m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(2), six equivalent Ta(1), and four equivalent Tl(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to six equivalent Ca(1), four equivalent Ta(2), and four equivalent Tl(1) atoms. In the second Ta site, Ta(2) is bonded to four equivalent Ca(1) and four equivalent Ta(1) atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Ta(1) atoms.
CaTa2Tl crystallizes in the cubic F-43m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ta(2), six equivalent Ta(1), and four equivalent Tl(1) atoms. All Ca(1)-Ta(2) bond lengths are 3.04 Å. All Ca(1)-Ta(1) bond lengths are 3.51 Å. All Ca(1)-Tl(1) bond lengths are 3.04 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 14-coordinate geometry to six equivalent Ca(1), four equivalent Ta(2), and four equivalent Tl(1) atoms. All Ta(1)-Ta(2) bond lengths are 3.04 Å. All Ta(1)-Tl(1) bond lengths are 3.04 Å. In the second Ta site, Ta(2) is bonded to four equivalent Ca(1) and four equivalent Ta(1) atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ca(1) and four equivalent Ta(1) atoms.