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Title: Materials Data on KNaSe by Materials Project

Abstract

KNaSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to five equivalent Se2- atoms to form distorted KSe5 trigonal bipyramids that share corners with eight equivalent NaSe4 tetrahedra, corners with eight equivalent KSe5 trigonal bipyramids, edges with six equivalent NaSe4 tetrahedra, and edges with six equivalent KSe5 trigonal bipyramids. There are a spread of K–Se bond distances ranging from 3.34–3.48 Å. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with eight equivalent NaSe4 tetrahedra, corners with eight equivalent KSe5 trigonal bipyramids, edges with two equivalent NaSe4 tetrahedra, and edges with six equivalent KSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.96–3.01 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Na1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28595
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; KNaSe; K-Na-Se
OSTI Identifier:
1202693
DOI:
https://doi.org/10.17188/1202693

Citation Formats

The Materials Project. Materials Data on KNaSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202693.
The Materials Project. Materials Data on KNaSe by Materials Project. United States. doi:https://doi.org/10.17188/1202693
The Materials Project. 2020. "Materials Data on KNaSe by Materials Project". United States. doi:https://doi.org/10.17188/1202693. https://www.osti.gov/servlets/purl/1202693. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1202693,
title = {Materials Data on KNaSe by Materials Project},
author = {The Materials Project},
abstractNote = {KNaSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to five equivalent Se2- atoms to form distorted KSe5 trigonal bipyramids that share corners with eight equivalent NaSe4 tetrahedra, corners with eight equivalent KSe5 trigonal bipyramids, edges with six equivalent NaSe4 tetrahedra, and edges with six equivalent KSe5 trigonal bipyramids. There are a spread of K–Se bond distances ranging from 3.34–3.48 Å. Na1+ is bonded to four equivalent Se2- atoms to form NaSe4 tetrahedra that share corners with eight equivalent NaSe4 tetrahedra, corners with eight equivalent KSe5 trigonal bipyramids, edges with two equivalent NaSe4 tetrahedra, and edges with six equivalent KSe5 trigonal bipyramids. There are a spread of Na–Se bond distances ranging from 2.96–3.01 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Na1+ atoms.},
doi = {10.17188/1202693},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}