Materials Data on Sm2Zn17 by Materials Project
Sm2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Sm–Zn bond distances ranging from 3.13–3.47 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Sm and nine Zn atoms to form distorted ZnSm3Zn9 cuboctahedra that share corners with twenty-three ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with twenty ZnSm3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.57–2.88 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Sm and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form ZnSm2Zn10 cuboctahedra that share corners with twenty-two ZnSm2Zn10 cuboctahedra, edges with ten ZnSm2Zn10 cuboctahedra, and faces with eighteen ZnSm3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å. In the fourth Zn site, Zn is bonded to two equivalent Sm and ten Zn atoms to form distorted ZnSm2Zn10 cuboctahedra that share corners with twenty-four ZnSm2Zn10 cuboctahedra, edges with five ZnSm2Zn10 cuboctahedra, and faces with twenty-one ZnSm3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 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:
- 1205072
- Report Number(s):
- mp-30712
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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