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Title: Materials Data on Ti3Be by Materials Project

Abstract

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 withmore » twelve TiTi8Be4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1187475
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti3Be; Be-Ti
OSTI Identifier:
1719613
DOI:
https://doi.org/10.17188/1719613

Citation Formats

The Materials Project. Materials Data on Ti3Be by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719613.
The Materials Project. Materials Data on Ti3Be by Materials Project. United States. doi:https://doi.org/10.17188/1719613
The Materials Project. 2020. "Materials Data on Ti3Be by Materials Project". United States. doi:https://doi.org/10.17188/1719613. https://www.osti.gov/servlets/purl/1719613. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1719613,
title = {Materials Data on Ti3Be by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1719613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}