Materials Data on Si4MoPt3 by Materials Project
MoPt3Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to three equivalent Pt2- and seven Si atoms. There are one shorter (2.94 Å) and two longer (2.95 Å) Mo–Pt bond lengths. There are a spread of Mo–Si bond distances ranging from 2.55–2.61 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.73 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to three equivalent Mo6+ and five Si atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.61 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second Si site, Si is bonded in a 8-coordinate geometry to two equivalent Mo6+, four Pt2-, and two equivalent Si atoms. Both Si–Si bond lengths are 2.73 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Mo6+, five Pt2-, and two equivalent Si atoms. In the fourth Si site, Si is bonded in a 2-coordinate geometry to four equivalent Mo6+ and two equivalent Pt2- 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:
- 1315984
- Report Number(s):
- mp-978785
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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