Materials Data on ScZn2 by Materials Project
ScZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Zn atoms. There are one shorter (3.20 Å) and three longer (3.22 Å) Sc–Sc bond lengths. There are three shorter (3.03 Å) and nine longer (3.09 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Sc and six equivalent Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded to six equivalent Sc and six Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.71 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:
- 1189631
- Report Number(s):
- mp-13503
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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