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Title: Materials Data on Al(CuO2)3 by Materials Project

Abstract

Al(CuO2)2CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one Al(CuO2)2 sheet oriented in the (0, 0, 1) direction. In the Al(CuO2)2 sheet, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.74 Å) and one longer (1.78 Å) Cu–O bond length. Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There is two shorter (1.89 Å) and four longer (1.90 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu3+ and one Al3+ atom.

Publication Date:
Other Number(s):
mvc-11181
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; Al(CuO2)3; Al-Cu-O
OSTI Identifier:
1318126
DOI:
10.17188/1318126

Citation Formats

The Materials Project. Materials Data on Al(CuO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318126.
The Materials Project. Materials Data on Al(CuO2)3 by Materials Project. United States. doi:10.17188/1318126.
The Materials Project. 2020. "Materials Data on Al(CuO2)3 by Materials Project". United States. doi:10.17188/1318126. https://www.osti.gov/servlets/purl/1318126. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1318126,
title = {Materials Data on Al(CuO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al(CuO2)2CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one Al(CuO2)2 sheet oriented in the (0, 0, 1) direction. In the Al(CuO2)2 sheet, Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.74 Å) and one longer (1.78 Å) Cu–O bond length. Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There is two shorter (1.89 Å) and four longer (1.90 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu3+ and one Al3+ atom.},
doi = {10.17188/1318126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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