Materials Data on Yb3Sn5 by Materials Project
Yb3Sn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.15–3.54 Å. In the second Yb site, Yb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.28–3.53 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to six Yb and three Sn atoms. There are two shorter (3.06 Å) and one longer (3.09 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Yb and four Sn atoms. There are one shorter (3.20 Å) and one longer (3.36 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 5-coordinate geometry to five Yb and four Sn atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1733685
- Report Number(s):
- mp-1190232
- Country of Publication:
- United States
- Language:
- English
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