Materials Data on YZn12 by Materials Project
YZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.16–3.41 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Y and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.88 Å. In the second Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form a mixture of edge, face, and corner-sharing ZnY2Zn10 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Y and nine Zn atoms. The Zn–Zn bond length is 2.59 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:
- 1205239
- Report Number(s):
- mp-30886
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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