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Title: Materials Data on AlCuO2 by Materials Project

Abstract

CuAlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. Al3+ is bonded to six equivalent O2- atoms to form edge-sharing AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Cu1+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Cu tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-3098
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; AlCuO2; Al-Cu-O
OSTI Identifier:
1205315
DOI:
https://doi.org/10.17188/1205315

Citation Formats

The Materials Project. Materials Data on AlCuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205315.
The Materials Project. Materials Data on AlCuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1205315
The Materials Project. 2020. "Materials Data on AlCuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1205315. https://www.osti.gov/servlets/purl/1205315. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205315,
title = {Materials Data on AlCuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuAlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.88 Å. Al3+ is bonded to six equivalent O2- atoms to form edge-sharing AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Cu1+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Cu tetrahedra.},
doi = {10.17188/1205315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}