Materials Data on NiSn by Materials Project
NiSn crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four Ni and seven Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.68–3.03 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.86 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Ni and six Sn atoms. There are two shorter (2.63 Å) and one longer (2.82 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.57–2.66 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.84 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to four Ni and six Sn atoms. Both Ni–Ni bond lengths are 2.61 Å. There are two shorter (2.54 Å) and four longer (2.62 Å) Ni–Sn bond lengths. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. There are four shorter (2.65 Å) and two longer (2.68 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms.
- 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:
- 1283694
- Report Number(s):
- mp-680646
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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