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Title: Materials Data on K7LiSi8 by Materials Project

Abstract

KK6LiSi8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four potassium molecules and one K6LiSi8 framework. In the K6LiSi8 framework, K1+ is bonded in a 6-coordinate geometry to six Si1- atoms. There are a spread of K–Si bond distances ranging from 3.41–3.52 Å. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent Si1- atoms. All Li–Si bond lengths are 2.71 Å. There are two inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 1-coordinate geometry to four equivalent K1+, one Li1+, and three Si1- atoms. There are one shorter (2.41 Å) and two longer (2.46 Å) Si–Si bond lengths. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to six equivalent K1+ and three equivalent Si1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-3949
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; K7LiSi8; K-Li-Si
OSTI Identifier:
1207663
DOI:
https://doi.org/10.17188/1207663

Citation Formats

The Materials Project. Materials Data on K7LiSi8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207663.
The Materials Project. Materials Data on K7LiSi8 by Materials Project. United States. doi:https://doi.org/10.17188/1207663
The Materials Project. 2020. "Materials Data on K7LiSi8 by Materials Project". United States. doi:https://doi.org/10.17188/1207663. https://www.osti.gov/servlets/purl/1207663. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1207663,
title = {Materials Data on K7LiSi8 by Materials Project},
author = {The Materials Project},
abstractNote = {KK6LiSi8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four potassium molecules and one K6LiSi8 framework. In the K6LiSi8 framework, K1+ is bonded in a 6-coordinate geometry to six Si1- atoms. There are a spread of K–Si bond distances ranging from 3.41–3.52 Å. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent Si1- atoms. All Li–Si bond lengths are 2.71 Å. There are two inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 1-coordinate geometry to four equivalent K1+, one Li1+, and three Si1- atoms. There are one shorter (2.41 Å) and two longer (2.46 Å) Si–Si bond lengths. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to six equivalent K1+ and three equivalent Si1- atoms.},
doi = {10.17188/1207663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}