Materials Data on KSiH3 by Materials Project
KSiH3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to one Si4- and nine H1+ atoms. The K–Si bond length is 3.62 Å. There are a spread of K–H bond distances ranging from 2.80–2.96 Å. Si4- is bonded in a 3-coordinate geometry to one K1+ and three H1+ atoms. There is one shorter (1.54 Å) and two longer (1.56 Å) Si–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded to three equivalent K1+ and one Si4- atom to form a mixture of distorted edge and corner-sharing HK3Si tetrahedra. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to three equivalent K1+ and one Si4- atom.
- 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:
- 1202767
- Report Number(s):
- mp-28695
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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