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Title: Materials Data on K2Se3 by Materials Project

Abstract

K2Se3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight Se atoms. There are a spread of K–Se bond distances ranging from 3.31–3.66 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Se atoms. There are a spread of K–Se bond distances ranging from 3.38–3.51 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to three K and two equivalent Se atoms. Both Se–Se bond lengths are 2.43 Å. In the second Se site, Se is bonded to six K and one Se atom to form a mixture of distorted corner, edge, and face-sharing SeK6Se pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-7670
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2Se3; K-Se
OSTI Identifier:
1297237
DOI:
10.17188/1297237

Citation Formats

The Materials Project. Materials Data on K2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297237.
The Materials Project. Materials Data on K2Se3 by Materials Project. United States. doi:10.17188/1297237.
The Materials Project. 2020. "Materials Data on K2Se3 by Materials Project". United States. doi:10.17188/1297237. https://www.osti.gov/servlets/purl/1297237. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1297237,
title = {Materials Data on K2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Se3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight Se atoms. There are a spread of K–Se bond distances ranging from 3.31–3.66 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Se atoms. There are a spread of K–Se bond distances ranging from 3.38–3.51 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to three K and two equivalent Se atoms. Both Se–Se bond lengths are 2.43 Å. In the second Se site, Se is bonded to six K and one Se atom to form a mixture of distorted corner, edge, and face-sharing SeK6Se pentagonal bipyramids.},
doi = {10.17188/1297237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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