Materials Data on Na(Cu2Sb)2 by Materials Project
Abstract
NaCu4Sb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Sb3- atoms to form edge-sharing NaSb6 octahedra. All Na–Sb bond lengths are 3.26 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 1-coordinate geometry to three equivalent Cu+1.25+ and four equivalent Sb3- atoms. All Cu–Cu bond lengths are 2.56 Å. There are one shorter (2.70 Å) and three longer (2.88 Å) Cu–Sb bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a trigonal non-coplanar geometry to three equivalent Cu+1.25+ and three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.60 Å. Sb3- is bonded in a 10-coordinate geometry to three equivalent Na1+ and seven Cu+1.25+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8607
- 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; Na(Cu2Sb)2; Cu-Na-Sb
- OSTI Identifier:
- 1309179
- DOI:
- https://doi.org/10.17188/1309179
Citation Formats
The Materials Project. Materials Data on Na(Cu2Sb)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1309179.
The Materials Project. Materials Data on Na(Cu2Sb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1309179
The Materials Project. 2020.
"Materials Data on Na(Cu2Sb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1309179. https://www.osti.gov/servlets/purl/1309179. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1309179,
title = {Materials Data on Na(Cu2Sb)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu4Sb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Sb3- atoms to form edge-sharing NaSb6 octahedra. All Na–Sb bond lengths are 3.26 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 1-coordinate geometry to three equivalent Cu+1.25+ and four equivalent Sb3- atoms. All Cu–Cu bond lengths are 2.56 Å. There are one shorter (2.70 Å) and three longer (2.88 Å) Cu–Sb bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a trigonal non-coplanar geometry to three equivalent Cu+1.25+ and three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.60 Å. Sb3- is bonded in a 10-coordinate geometry to three equivalent Na1+ and seven Cu+1.25+ atoms.},
doi = {10.17188/1309179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}