Materials Data on Ce3Ni2Sn7 by Materials Project
Ce3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to two equivalent Ni and twelve Sn atoms. Both Ce–Ni bond lengths are 3.48 Å. There are a spread of Ce–Sn bond distances ranging from 3.26–3.35 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All Ce–Ni bond lengths are 3.62 Å. There are a spread of Ce–Sn bond distances ranging from 3.38–3.51 Å. Ni is bonded in a 5-coordinate geometry to five Ce and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.48–2.54 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Ce and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.88 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:
- 1262839
- Report Number(s):
- mp-510126
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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