Materials Data on KSi by Materials Project
KSi crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of K–Si bond distances ranging from 3.33–3.65 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Si atoms. There are three shorter (3.46 Å) and three longer (3.65 Å) K–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six K and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six K and three equivalent Si atoms. All Si–Si bond lengths are 2.43 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:
- 1188608
- Report Number(s):
- mp-1217
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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