Materials Data on ErZn12 by Materials Project
ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.
- 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:
- 1205001
- Report Number(s):
- mp-30614
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Mg4Zn7 by Materials Project
Materials Data on La14Zn45Si by Materials Project