Materials Data on Na(Cu2Sb)2 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1309179
- Report Number(s):
- mp-8607
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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