Materials Data on SmSi3Pt5 by Materials Project
SmPt5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm2+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. There are a spread of Sm–Pt bond distances ranging from 3.10–3.19 Å. There are five inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.58 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.65 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 6-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are two shorter (2.44 Å) and two longer (2.65 Å) Pt–Si bond lengths. In the fourth Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to five Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.73 Å. In the fifth Pt+1.20- site, Pt+1.20- is bonded in a trigonal non-coplanar geometry to three equivalent Si+1.33+ atoms. There are one shorter (2.41 Å) and two longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- atoms. In the third Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- 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:
- 1191189
- Report Number(s):
- mp-15442
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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