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Title: Materials Data on K2SeO4 by Materials Project

Abstract

K2SeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.17 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.

Publication Date:
Other Number(s):
mp-5226
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; K2SeO4; K-O-Se
OSTI Identifier:
1263152
DOI:
10.17188/1263152

Citation Formats

The Materials Project. Materials Data on K2SeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263152.
The Materials Project. Materials Data on K2SeO4 by Materials Project. United States. doi:10.17188/1263152.
The Materials Project. 2020. "Materials Data on K2SeO4 by Materials Project". United States. doi:10.17188/1263152. https://www.osti.gov/servlets/purl/1263152. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1263152,
title = {Materials Data on K2SeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.17 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.},
doi = {10.17188/1263152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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