U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-978963
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Be-Ti; Ti3Be; crystal structure
- OSTI Identifier:
- 1316046
- DOI:
- https://doi.org/10.17188/1316046
Citation Formats
Materials Data on Ti3Be by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316046.
Materials Data on Ti3Be by Materials Project. United States. doi:https://doi.org/10.17188/1316046
2020.
"Materials Data on Ti3Be by Materials Project". United States. doi:https://doi.org/10.17188/1316046. https://www.osti.gov/servlets/purl/1316046. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316046,
title = {Materials Data on Ti3Be by Materials Project},
abstractNote = {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.},
doi = {10.17188/1316046},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}