DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KSi2N3 by Materials Project

Abstract

KSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.05 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.68–1.81 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent K1+ and three equivalent Si4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1029418
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; KSi2N3; K-N-Si
OSTI Identifier:
1718686
DOI:
https://doi.org/10.17188/1718686

Citation Formats

The Materials Project. Materials Data on KSi2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718686.
The Materials Project. Materials Data on KSi2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1718686
The Materials Project. 2020. "Materials Data on KSi2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1718686. https://www.osti.gov/servlets/purl/1718686. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718686,
title = {Materials Data on KSi2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {KSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.05 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.68–1.81 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent K1+ and three equivalent Si4+ atoms.},
doi = {10.17188/1718686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}