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Title: Materials Data on KLi2(HO)3 by Materials Project

Abstract

KLi2(HO)3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one KLi2(HO)3 ribbon oriented in the (0, 1, 0) direction. K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.76 Å. Li1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.04 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Li1+, and one H1+ atom. In themore » third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1188395
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; KLi2(HO)3; H-K-Li-O
OSTI Identifier:
1654419
DOI:
https://doi.org/10.17188/1654419

Citation Formats

The Materials Project. Materials Data on KLi2(HO)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654419.
The Materials Project. Materials Data on KLi2(HO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1654419
The Materials Project. 2019. "Materials Data on KLi2(HO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1654419. https://www.osti.gov/servlets/purl/1654419. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1654419,
title = {Materials Data on KLi2(HO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {KLi2(HO)3 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one KLi2(HO)3 ribbon oriented in the (0, 1, 0) direction. K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.76 Å. Li1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.04 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Li1+, and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one H1+ atom.},
doi = {10.17188/1654419},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}