U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3LiSi4 by Materials Project
Abstract
K3LiSi4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to seven Si atoms. There are a spread of K–Si bond distances ranging from 3.55–3.79 Å. In the second 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 3.41–3.61 Å. Li is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Li–Si bond distances ranging from 2.59–2.94 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four K, two equivalent Li, and three Si atoms. There are two shorter (2.45 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 1-coordinate geometry to five K, one Li, and three Si atoms. There are one shorter (2.38 Å) and one longer (2.45 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 10-coordinate geometry to five K, two equivalent Li, and three Si atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28316
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K3LiSi4; K-Li-Si
- OSTI Identifier:
- 1202442
- DOI:
- https://doi.org/10.17188/1202442
Citation Formats
The Materials Project. Materials Data on K3LiSi4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202442.
The Materials Project. Materials Data on K3LiSi4 by Materials Project. United States. doi:https://doi.org/10.17188/1202442
The Materials Project. 2020.
"Materials Data on K3LiSi4 by Materials Project". United States. doi:https://doi.org/10.17188/1202442. https://www.osti.gov/servlets/purl/1202442. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1202442,
title = {Materials Data on K3LiSi4 by Materials Project},
author = {The Materials Project},
abstractNote = {K3LiSi4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to seven Si atoms. There are a spread of K–Si bond distances ranging from 3.55–3.79 Å. In the second 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 3.41–3.61 Å. Li is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Li–Si bond distances ranging from 2.59–2.94 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four K, two equivalent Li, and three Si atoms. There are two shorter (2.45 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 1-coordinate geometry to five K, one Li, and three Si atoms. There are one shorter (2.38 Å) and one longer (2.45 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 10-coordinate geometry to five K, two equivalent Li, and three Si atoms.},
doi = {10.17188/1202442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}