U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuAsPt by Materials Project
Abstract
LuPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.22 Å. All Lu–As bond lengths are 3.00 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.00 Å. All Lu–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.47 Å. As1- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent Pt2- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102150
- 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; LuAsPt; As-Lu-Pt
- OSTI Identifier:
- 1674860
- DOI:
- https://doi.org/10.17188/1674860
Citation Formats
The Materials Project. Materials Data on LuAsPt by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674860.
The Materials Project. Materials Data on LuAsPt by Materials Project. United States. doi:https://doi.org/10.17188/1674860
The Materials Project. 2020.
"Materials Data on LuAsPt by Materials Project". United States. doi:https://doi.org/10.17188/1674860. https://www.osti.gov/servlets/purl/1674860. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674860,
title = {Materials Data on LuAsPt by Materials Project},
author = {The Materials Project},
abstractNote = {LuPtAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.22 Å. All Lu–As bond lengths are 3.00 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of distorted edge and face-sharing LuAs6Pt6 cuboctahedra. All Lu–Pt bond lengths are 3.00 Å. All Lu–As bond lengths are 3.22 Å. Pt2- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.47 Å. As1- is bonded in a 9-coordinate geometry to six Lu3+ and three equivalent Pt2- atoms.},
doi = {10.17188/1674860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}