U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbU3 by Materials Project
Abstract
U3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Tb atoms to form UTb4U8 cuboctahedra that share corners with twelve equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and faces with fourteen UTb4U8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.24 Å) U–U bond lengths. All U–Tb bond lengths are 3.24 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Tb atoms to form distorted UTb4U8 cuboctahedra that share corners with four equivalent UTb4U8 cuboctahedra, corners with eight equivalent TbU12 cuboctahedra, edges with twenty-four UTb4U8 cuboctahedra, faces with six equivalent TbU12 cuboctahedra, and faces with twelve UTb4U8 cuboctahedra. All U–Tb bond lengths are 3.12 Å. Tb is bonded to twelve U atoms to form TbU12 cuboctahedra that share corners with four equivalent TbU12 cuboctahedra, corners with eight equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen equivalent UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and facesmore »
- Publication Date:
- Other Number(s):
- mp-979282
- 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; Tb-U; TbU3; crystal structure
- OSTI Identifier:
- 1316115
- DOI:
- https://doi.org/10.17188/1316115
Citation Formats
Materials Data on TbU3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316115.
Materials Data on TbU3 by Materials Project. United States. doi:https://doi.org/10.17188/1316115
2020.
"Materials Data on TbU3 by Materials Project". United States. doi:https://doi.org/10.17188/1316115. https://www.osti.gov/servlets/purl/1316115. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1316115,
title = {Materials Data on TbU3 by Materials Project},
abstractNote = {U3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Tb atoms to form UTb4U8 cuboctahedra that share corners with twelve equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and faces with fourteen UTb4U8 cuboctahedra. There are four shorter (3.12 Å) and four longer (3.24 Å) U–U bond lengths. All U–Tb bond lengths are 3.24 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Tb atoms to form distorted UTb4U8 cuboctahedra that share corners with four equivalent UTb4U8 cuboctahedra, corners with eight equivalent TbU12 cuboctahedra, edges with twenty-four UTb4U8 cuboctahedra, faces with six equivalent TbU12 cuboctahedra, and faces with twelve UTb4U8 cuboctahedra. All U–Tb bond lengths are 3.12 Å. Tb is bonded to twelve U atoms to form TbU12 cuboctahedra that share corners with four equivalent TbU12 cuboctahedra, corners with eight equivalent UTb4U8 cuboctahedra, edges with eight equivalent TbU12 cuboctahedra, edges with sixteen equivalent UTb4U8 cuboctahedra, faces with four equivalent TbU12 cuboctahedra, and faces with fourteen UTb4U8 cuboctahedra.},
doi = {10.17188/1316115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}