Materials Data on BeBiOs2 by Materials Project

Abstract

BeOs2Bi crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os+1.50- atoms to form corner-sharing BeOs4 tetrahedra. All Be–Os bond lengths are 2.76 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded in a distorted body-centered cubic geometry to four equivalent Os+1.50- and four equivalent Bi1+ atoms. All Os–Os bond lengths are 2.76 Å. All Os–Bi bond lengths are 2.76 Å. In the second Os+1.50- site, Os+1.50- is bonded to four equivalent Be2+ and four equivalent Os+1.50- atoms to form distorted OsBe4Os4 tetrahedra that share corners with four equivalent BiOs4 tetrahedra, edges with six equivalent BiOs4 tetrahedra, and edges with twelve equivalent OsBe4Os4 tetrahedra. Bi1+ is bonded to four equivalent Os+1.50- atoms to form distorted BiOs4 tetrahedra that share corners with four equivalent OsBe4Os4 tetrahedra, corners with twelve equivalent BiOs4 tetrahedra, and edges with six equivalent OsBe4Os4 tetrahedra.