Materials Data on Mg2Zn11 by Materials Project
Mg2Zn11 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.93–3.13 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.78 Å. In the third Zn site, Zn is bonded in a 7-coordinate geometry to two equivalent Mg and five Zn atoms. There are two shorter (2.54 Å) and one longer (2.73 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and six Zn atoms. All Zn–Zn bond lengths are 2.63 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Zn atoms. There are one shorter (2.71 Å) and four longer (2.79 Å) Zn–Zn bond lengths.
- 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:
- 1205145
- Report Number(s):
- mp-30784
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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