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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3Be by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Be by Materials Project

BeTi3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Be is bonded to twelve Ti atoms to form BeTi12 cuboctahedra that share corners with four equivalent BeTi12 cuboctahedra, corners with eight equivalent TiTi8Be4 cuboctahedra, edges with eight equivalent BeTi12 cuboctahedra, edges with sixteen equivalent TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with fourteen TiTi8Be4 cuboctahedra. There are four shorter (2.72 Å) and eight longer (2.78 Å) Be–Ti bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Be and eight Ti atoms to form TiTi8Be4 cuboctahedra that share corners with twelve equivalent TiTi8Be4 cuboctahedra, edges with eight equivalent BeTi12 cuboctahedra, edges with sixteen TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with fourteen TiTi8Be4 cuboctahedra. There are four shorter (2.72 Å) and four longer (2.78 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded to four equivalent Be and eight equivalent Ti atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent TiTi8Be4 cuboctahedra, corners with eight equivalent BeTi12 cuboctahedra, edges with twenty-four TiTi8Be4 cuboctahedra, faces with six equivalent BeTi12 cuboctahedra, and faces with twelve TiTi8Be4 cuboctahedra.

36 MATERIALS SCIENCE↗