Materials Data on NbBi2Mo by Materials Project

Abstract

NbMoBi2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Mo and ten Bi atoms. All Nb–Mo bond lengths are 3.06 Å. There are four shorter (3.06 Å) and six longer (3.53 Å) Nb–Bi bond lengths. Mo is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Bi atoms. All Mo–Bi bond lengths are 3.06 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Nb and four equivalent Bi atoms to form distorted edge-sharing BiNb4Bi4 tetrahedra. All Bi–Bi bond lengths are 3.06 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Nb, four equivalent Mo, and four equivalent Bi atoms.