Materials Data on SmSiAg by Materials Project
SmAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing SmSi5 square pyramids. There are one shorter (2.99 Å) and four longer (3.04 Å) Sm–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.75 Å) and two longer (2.78 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ag1+ 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:
- 1313866
- Report Number(s):
- mp-972524
- Country of Publication:
- United States
- Language:
- English
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