Materials Data on AlTc2Pb by Materials Project

Abstract

Tc2AlPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Tc sites. In the first Tc site, Tc is bonded to four equivalent Tc and four equivalent Pb atoms to form distorted edge-sharing TcTc4Pb4 tetrahedra. All Tc–Tc bond lengths are 2.82 Å. All Tc–Pb bond lengths are 2.82 Å. In the second Tc site, Tc is bonded in a 4-coordinate geometry to four equivalent Tc, four equivalent Al, and six equivalent Pb atoms. All Tc–Al bond lengths are 2.82 Å. All Tc–Pb bond lengths are 3.25 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Tc and four equivalent Pb atoms. All Al–Pb bond lengths are 2.82 Å. Pb is bonded in a distorted body-centered cubic geometry to ten Tc and four equivalent Al atoms.