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Title: Materials Data on AlCr2O4 by Materials Project

Abstract

Cr2AlO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.99 Å) Cr–O bond length. In the second Cr+2.50+ site, Cr+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Cr–O bond length. Al3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Al–O bond lengths are 1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Cr+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Cr+2.50+ and one Al3+ atom.

Authors:
Publication Date:
Other Number(s):
mvc-4602
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlCr2O4; Al-Cr-O
OSTI Identifier:
1321079
DOI:
https://doi.org/10.17188/1321079

Citation Formats

The Materials Project. Materials Data on AlCr2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321079.
The Materials Project. Materials Data on AlCr2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1321079
The Materials Project. 2020. "Materials Data on AlCr2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1321079. https://www.osti.gov/servlets/purl/1321079. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1321079,
title = {Materials Data on AlCr2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2AlO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.99 Å) Cr–O bond length. In the second Cr+2.50+ site, Cr+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Cr–O bond length. Al3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Al–O bond lengths are 1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Cr+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Cr+2.50+ and one Al3+ atom.},
doi = {10.17188/1321079},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}