Materials Data on Li8Zn2Ge3 by Materials Project
Li8Zn2Ge3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to seven Li, one Zn, and three equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.49–2.84 Å. The Li–Zn bond length is 2.78 Å. All Li–Ge bond lengths are 2.82 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. There are a spread of Li–Li bond distances ranging from 2.64–3.05 Å. There are one shorter (2.74 Å) and one longer (2.88 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.73–2.91 Å. In the third Li site, Li is bonded in a 12-coordinate geometry to six Li, two Zn, and four equivalent Ge atoms. The Li–Li bond length is 2.95 Å. There are one shorter (2.74 Å) and one longer (2.79 Å) Li–Zn bond lengths. There are a spread of Li–Ge bond distances ranging from 2.75–2.88 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to seven Li, one Zn, and three equivalent Ge atoms. The Li–Zn bond length is 2.98 Å. All Li–Ge bond lengths are 2.69 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.55 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.56 Å. Ge is bonded to ten Li and two Zn atoms to form a mixture of edge and face-sharing GeLi10Zn2 cuboctahedra.
- 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:
- 1275062
- Report Number(s):
- mp-569373
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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