U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Lu3(CuGe)4 by Materials Project
Abstract
Lu3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to six Ge atoms to form distorted edge-sharing LuGe6 octahedra. There are four shorter (2.88 Å) and two longer (2.93 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.93 Å) and two longer (3.02 Å) Lu–Cu bond lengths. There are two shorter (2.96 Å) and four longer (2.99 Å) Lu–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Lu, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.43–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Lu and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.51 Å.
- Publication Date:
- Other Number(s):
- mp-1102425
- 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; Cu-Ge-Lu; Lu3(CuGe)4; crystal structure
- OSTI Identifier:
- 1679826
- DOI:
- https://doi.org/10.17188/1679826
Citation Formats
Materials Data on Lu3(CuGe)4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1679826.
Materials Data on Lu3(CuGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1679826
2018.
"Materials Data on Lu3(CuGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1679826. https://www.osti.gov/servlets/purl/1679826. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1679826,
title = {Materials Data on Lu3(CuGe)4 by Materials Project},
abstractNote = {Lu3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to six Ge atoms to form distorted edge-sharing LuGe6 octahedra. There are four shorter (2.88 Å) and two longer (2.93 Å) Lu–Ge bond lengths. In the second Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.93 Å) and two longer (3.02 Å) Lu–Cu bond lengths. There are two shorter (2.96 Å) and four longer (2.99 Å) Lu–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Lu, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.43–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Lu and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.51 Å.},
doi = {10.17188/1679826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}