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Title: Materials Data on KAlCr2O10 by Materials Project

Abstract

KCr2AlO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.85–3.15 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Cr–O bond distances ranging from 1.61–1.73 Å. Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There is two shorter (1.86 Å) and four longer (1.89 Å) Al–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Cr, and one Al atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Cr atom. In the third O site, O is bonded in a single-bond geometry to two equivalent K and one Cr atom. In the fourth O site, O is bonded in a single-bond geometry to one Al atom.

Publication Date:
Other Number(s):
mp-1104925
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; KAlCr2O10; Al-Cr-K-O
OSTI Identifier:
1687478
DOI:
https://doi.org/10.17188/1687478

Citation Formats

The Materials Project. Materials Data on KAlCr2O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687478.
The Materials Project. Materials Data on KAlCr2O10 by Materials Project. United States. doi:https://doi.org/10.17188/1687478
The Materials Project. 2020. "Materials Data on KAlCr2O10 by Materials Project". United States. doi:https://doi.org/10.17188/1687478. https://www.osti.gov/servlets/purl/1687478. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687478,
title = {Materials Data on KAlCr2O10 by Materials Project},
author = {The Materials Project},
abstractNote = {KCr2AlO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.85–3.15 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Cr–O bond distances ranging from 1.61–1.73 Å. Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There is two shorter (1.86 Å) and four longer (1.89 Å) Al–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Cr, and one Al atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Cr atom. In the third O site, O is bonded in a single-bond geometry to two equivalent K and one Cr atom. In the fourth O site, O is bonded in a single-bond geometry to one Al atom.},
doi = {10.17188/1687478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}