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Title: Materials Data on K6Se2O9 by Materials Project

Abstract

K6Se2O9 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first 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 2.73–3.11 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.34 Å. In the third 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 2.73–3.15 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There is three shorter (1.76 Å) and two longer (1.84 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry tomore » four K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.« less

Publication Date:
Other Number(s):
mp-559613
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; K6Se2O9; K-O-Se
OSTI Identifier:
1270947
DOI:
https://doi.org/10.17188/1270947

Citation Formats

The Materials Project. Materials Data on K6Se2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270947.
The Materials Project. Materials Data on K6Se2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1270947
The Materials Project. 2020. "Materials Data on K6Se2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1270947. https://www.osti.gov/servlets/purl/1270947. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1270947,
title = {Materials Data on K6Se2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Se2O9 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first 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 2.73–3.11 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.34 Å. In the third 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 2.73–3.15 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There is three shorter (1.76 Å) and two longer (1.84 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.},
doi = {10.17188/1270947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}