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Title: Materials Data on KIO3 by Materials Project

Abstract

KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.86 Å) and three longer (3.12 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.85 Å) and three longer (3.06 Å) K–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.84 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms.

Publication Date:
Other Number(s):
mp-1080058
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; KIO3; I-K-O
OSTI Identifier:
1759574
DOI:
https://doi.org/10.17188/1759574

Citation Formats

The Materials Project. Materials Data on KIO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759574.
The Materials Project. Materials Data on KIO3 by Materials Project. United States. doi:https://doi.org/10.17188/1759574
The Materials Project. 2020. "Materials Data on KIO3 by Materials Project". United States. doi:https://doi.org/10.17188/1759574. https://www.osti.gov/servlets/purl/1759574. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759574,
title = {Materials Data on KIO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.86 Å) and three longer (3.12 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.85 Å) and three longer (3.06 Å) K–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one I5+ atom. The O–I bond length is 1.84 Å. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms.},
doi = {10.17188/1759574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}