U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaCu6 by Materials Project
Abstract
LaCu6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of La–Cu bond distances ranging from 2.94–3.41 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent La and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–3.11 Å. In the second Cu site, Cu is bonded to three equivalent La and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuLa3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.63 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.52–3.06 Å. In the fourth Cu site, Cu is bonded to three equivalent La and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuLa3Cu9 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.62 Å) Cu–Cu bond lengths. In the fifth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-636256
- 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; LaCu6; Cu-La
- OSTI Identifier:
- 1272602
- DOI:
- https://doi.org/10.17188/1272602
Citation Formats
The Materials Project. Materials Data on LaCu6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272602.
The Materials Project. Materials Data on LaCu6 by Materials Project. United States. doi:https://doi.org/10.17188/1272602
The Materials Project. 2020.
"Materials Data on LaCu6 by Materials Project". United States. doi:https://doi.org/10.17188/1272602. https://www.osti.gov/servlets/purl/1272602. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1272602,
title = {Materials Data on LaCu6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCu6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of La–Cu bond distances ranging from 2.94–3.41 Å. There are five inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent La and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–3.11 Å. In the second Cu site, Cu is bonded to three equivalent La and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuLa3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.47–2.63 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.52–3.06 Å. In the fourth Cu site, Cu is bonded to three equivalent La and nine Cu atoms to form a mixture of face, edge, and corner-sharing CuLa3Cu9 cuboctahedra. There are one shorter (2.49 Å) and one longer (2.62 Å) Cu–Cu bond lengths. In the fifth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent La and eight Cu atoms.},
doi = {10.17188/1272602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}