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

Title: Materials Data on Lu by Materials Project

Abstract

Lu is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Lu sites. In the first Lu site, Lu is bonded to twelve Lu atoms to form LuLu12 cuboctahedra that share corners with eighteen LuLu16 cuboctahedra, edges with eighteen LuLu12 cuboctahedra, and faces with twenty LuLu12 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.42–3.49 Å. In the third Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. All Lu–Lu bond lengths are 3.49 Å. In the fourth Lu site, Lu is bonded to twelve Lu atoms to form LuLu12 cuboctahedra that share corners with fifteen LuLu12 cuboctahedra, edges with twenty-one LuLu16 cuboctahedra, and faces with nineteen LuLu12 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.42–3.49 Å. In the fifth Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge,more » corner, and face-sharing LuLu12 cuboctahedra. There are three shorter (3.44 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the sixth Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. There are three shorter (3.42 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the seventh Lu site, Lu is bonded to sixteen Lu atoms to form LuLu16 cuboctahedra that share corners with twenty-five LuLu12 cuboctahedra, edges with twenty-one LuLu16 cuboctahedra, and faces with thirty-five LuLu16 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.49–6.97 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-973571
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; Lu; Lu
OSTI Identifier:
1314146
DOI:
https://doi.org/10.17188/1314146

Citation Formats

The Materials Project. Materials Data on Lu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314146.
The Materials Project. Materials Data on Lu by Materials Project. United States. doi:https://doi.org/10.17188/1314146
The Materials Project. 2020. "Materials Data on Lu by Materials Project". United States. doi:https://doi.org/10.17188/1314146. https://www.osti.gov/servlets/purl/1314146. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1314146,
title = {Materials Data on Lu by Materials Project},
author = {The Materials Project},
abstractNote = {Lu is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are seven inequivalent Lu sites. In the first Lu site, Lu is bonded to twelve Lu atoms to form LuLu12 cuboctahedra that share corners with eighteen LuLu16 cuboctahedra, edges with eighteen LuLu12 cuboctahedra, and faces with twenty LuLu12 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.42–3.49 Å. In the third Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. All Lu–Lu bond lengths are 3.49 Å. In the fourth Lu site, Lu is bonded to twelve Lu atoms to form LuLu12 cuboctahedra that share corners with fifteen LuLu12 cuboctahedra, edges with twenty-one LuLu16 cuboctahedra, and faces with nineteen LuLu12 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.42–3.49 Å. In the fifth Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. There are three shorter (3.44 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the sixth Lu site, Lu is bonded to twelve Lu atoms to form a mixture of edge, corner, and face-sharing LuLu12 cuboctahedra. There are three shorter (3.42 Å) and six longer (3.49 Å) Lu–Lu bond lengths. In the seventh Lu site, Lu is bonded to sixteen Lu atoms to form LuLu16 cuboctahedra that share corners with twenty-five LuLu12 cuboctahedra, edges with twenty-one LuLu16 cuboctahedra, and faces with thirty-five LuLu16 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.49–6.97 Å.},
doi = {10.17188/1314146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}