Materials Data on Zn3In by Materials Project
Zn3In is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six equivalent Zn and four equivalent In atoms. There are four shorter (2.68 Å) and two longer (2.78 Å) Zn–Zn bond lengths. There are two shorter (2.82 Å) and two longer (3.25 Å) Zn–In bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to seven Zn and three equivalent In atoms. There are a spread of Zn–Zn bond distances ranging from 2.50–2.95 Å. There are two shorter (3.11 Å) and one longer (3.18 Å) Zn–In bond lengths. In is bonded in a 2-coordinate geometry to ten Zn 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:
- 1719179
- Report Number(s):
- mp-1188074
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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