Materials Data on Ti3Be by Materials Project

Abstract

BeTi3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ti atoms to form BeTi12 cuboctahedra that share corners with six equivalent BeTi12 cuboctahedra, corners with twelve equivalent TiTi8Be4 cuboctahedra, edges with eighteen equivalent TiTi8Be4 cuboctahedra, faces with eight equivalent BeTi12 cuboctahedra, and faces with twelve equivalent TiTi8Be4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.78 Å) Be–Ti bond lengths. Ti is bonded to four equivalent Be and eight equivalent Ti atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent BeTi12 cuboctahedra, corners with fourteen equivalent TiTi8Be4 cuboctahedra, edges with six equivalent BeTi12 cuboctahedra, edges with twelve equivalent TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Be4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.65–2.90 Å.