Materials Data on BPd2Br by Materials Project

Abstract

Pd2BBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Pd2+ and four equivalent Br1- atoms to form edge-sharing PdPd4Br4 tetrahedra. All Pd–Pd bond lengths are 2.74 Å. All Pd–Br bond lengths are 2.74 Å. In the second Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to four equivalent Pd2+, four equivalent B3-, and six equivalent Br1- atoms. All Pd–B bond lengths are 2.74 Å. All Pd–Br bond lengths are 3.16 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Pd2+ and four equivalent Br1- atoms. All B–Br bond lengths are 2.74 Å. Br1- is bonded in a 8-coordinate geometry to ten Pd2+ and four equivalent B3- atoms.