DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » with fourteen UTb4U8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-979282
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; TbU3; Tb-U
OSTI Identifier:
1316115
DOI:
https://doi.org/10.17188/1316115

Citation Formats

The Materials Project. Materials Data on TbU3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316115.
The Materials Project. Materials Data on TbU3 by Materials Project. United States. doi:https://doi.org/10.17188/1316115
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1316115,
title = {Materials Data on TbU3 by Materials Project},
author = {The 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}
}