Materials Data on ScZn3 by Materials Project
ScZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve Zn atoms to form a mixture of face and corner-sharing ScZn12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Sc–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.09 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent 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:
- 1309386
- Report Number(s):
- mp-862260
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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