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Title: Materials Data on K4LiIO6 by Materials Project

Abstract

K4LiO6I crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.75–3.23 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.64–3.00 Å. In the third K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.54–2.91 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.67–2.99 Å. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to five K, one Li, and one I atom. The O–I bond length is 1.94 Å. In the second O site, O is bonded in a 6-coordinate geometry tomore » four K, one Li, and one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a 5-coordinate geometry to three K, one Li, and one I atom. The O–I bond length is 1.94 Å. In the fourth O site, O is bonded in a 2-coordinate geometry to four K, one Li, and one I atom. The O–I bond length is 1.95 Å. In the fifth O site, O is bonded to four K and one I atom to form distorted corner-sharing OK4I trigonal bipyramids. The O–I bond length is 1.92 Å. In the sixth O site, O is bonded in a 1-coordinate geometry to five K and one I atom. The O–I bond length is 1.91 Å. I is bonded in an octahedral geometry to six O atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558483
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; K4LiIO6; I-K-Li-O
OSTI Identifier:
1270357
DOI:
10.17188/1270357

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K4LiIO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270357.
Persson, Kristin, & Project, Materials. Materials Data on K4LiIO6 by Materials Project. United States. doi:10.17188/1270357.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K4LiIO6 by Materials Project". United States. doi:10.17188/1270357. https://www.osti.gov/servlets/purl/1270357. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270357,
title = {Materials Data on K4LiIO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K4LiO6I crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.75–3.23 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.64–3.00 Å. In the third K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.54–2.91 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.67–2.99 Å. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to five K, one Li, and one I atom. The O–I bond length is 1.94 Å. In the second O site, O is bonded in a 6-coordinate geometry to four K, one Li, and one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a 5-coordinate geometry to three K, one Li, and one I atom. The O–I bond length is 1.94 Å. In the fourth O site, O is bonded in a 2-coordinate geometry to four K, one Li, and one I atom. The O–I bond length is 1.95 Å. In the fifth O site, O is bonded to four K and one I atom to form distorted corner-sharing OK4I trigonal bipyramids. The O–I bond length is 1.92 Å. In the sixth O site, O is bonded in a 1-coordinate geometry to five K and one I atom. The O–I bond length is 1.91 Å. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1270357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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