U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaLu3 by Materials Project
Abstract
NaLu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Lu atoms to form NaLu12 cuboctahedra that share corners with four equivalent NaLu12 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with sixteen equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with eight equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and eight longer (3.55 Å) Na–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Na and eight Lu atoms to form LuNa4Lu8 cuboctahedra that share corners with twelve equivalent LuNa4Lu8 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with eight equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with ten equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.55 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Lu atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-977314
- 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; NaLu3; Lu-Na
- OSTI Identifier:
- 1315556
- DOI:
- https://doi.org/10.17188/1315556
Citation Formats
The Materials Project. Materials Data on NaLu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315556.
The Materials Project. Materials Data on NaLu3 by Materials Project. United States. doi:https://doi.org/10.17188/1315556
The Materials Project. 2020.
"Materials Data on NaLu3 by Materials Project". United States. doi:https://doi.org/10.17188/1315556. https://www.osti.gov/servlets/purl/1315556. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1315556,
title = {Materials Data on NaLu3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaLu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Lu atoms to form NaLu12 cuboctahedra that share corners with four equivalent NaLu12 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with sixteen equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with eight equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and eight longer (3.55 Å) Na–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Na and eight Lu atoms to form LuNa4Lu8 cuboctahedra that share corners with twelve equivalent LuNa4Lu8 cuboctahedra, edges with eight equivalent NaLu12 cuboctahedra, edges with eight equivalent LuNa4Lu8 cuboctahedra, faces with four equivalent NaLu12 cuboctahedra, and faces with ten equivalent LuNa4Lu8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.55 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Lu atoms.},
doi = {10.17188/1315556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}