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Title: Materials Data on K9Li3I2O13 by Materials Project

Abstract

K9Li3O13I2 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are three 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 2.63–2.86 Å. In the second K site, K is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.74 Å) and two longer (2.89 Å) K–O bond lengths. In the third 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 2.78–3.18 Å. Li is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There is two shorter (1.92 Å) and two longer (1.95 Å) Li–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent K atoms. 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 6-coordinate geometry to four K, one Li,more » and one I atom. The O–I bond length is 1.92 Å. I is bonded in an octahedral geometry to six O atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556215
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; K9Li3I2O13; I-K-Li-O
OSTI Identifier:
1269231
DOI:
10.17188/1269231

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K9Li3I2O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269231.
Persson, Kristin, & Project, Materials. Materials Data on K9Li3I2O13 by Materials Project. United States. doi:10.17188/1269231.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K9Li3I2O13 by Materials Project". United States. doi:10.17188/1269231. https://www.osti.gov/servlets/purl/1269231. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269231,
title = {Materials Data on K9Li3I2O13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K9Li3O13I2 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are three 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 2.63–2.86 Å. In the second K site, K is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.74 Å) and two longer (2.89 Å) K–O bond lengths. In the third 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 2.78–3.18 Å. Li is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There is two shorter (1.92 Å) and two longer (1.95 Å) Li–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent K atoms. 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 6-coordinate geometry to four K, one Li, and one I atom. The O–I bond length is 1.92 Å. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1269231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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