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Title: Materials Data on KAlO by Materials Project

Abstract

KAlO crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.90–3.18 Å. In the second K site, K is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.87 Å) and one longer (3.00 Å) K–O bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Al–O bond length. In the second Al site, Al is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to three K and two Al atoms. In the second O site, O is bonded in a 2-coordinate geometry to three K and two Al atoms.

Publication Date:
Other Number(s):
mp-35893
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; KAlO; Al-K-O
OSTI Identifier:
1207093
DOI:
10.17188/1207093

Citation Formats

The Materials Project. Materials Data on KAlO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207093.
The Materials Project. Materials Data on KAlO by Materials Project. United States. doi:10.17188/1207093.
The Materials Project. 2020. "Materials Data on KAlO by Materials Project". United States. doi:10.17188/1207093. https://www.osti.gov/servlets/purl/1207093. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207093,
title = {Materials Data on KAlO by Materials Project},
author = {The Materials Project},
abstractNote = {KAlO crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.90–3.18 Å. In the second K site, K is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.87 Å) and one longer (3.00 Å) K–O bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Al–O bond length. In the second Al site, Al is bonded in a water-like geometry to two O atoms. There is one shorter (1.80 Å) and one longer (1.81 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to three K and two Al atoms. In the second O site, O is bonded in a 2-coordinate geometry to three K and two Al atoms.},
doi = {10.17188/1207093},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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