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

Abstract

(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.

Publication Date:
Other Number(s):
mvc-878
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; Y(CuO2)3; Cu-O-Y
OSTI Identifier:
1323186
DOI:
10.17188/1323186

Citation Formats

The Materials Project. Materials Data on Y(CuO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1323186.
The Materials Project. Materials Data on Y(CuO2)3 by Materials Project. United States. doi:10.17188/1323186.
The Materials Project. 2020. "Materials Data on Y(CuO2)3 by Materials Project". United States. doi:10.17188/1323186. https://www.osti.gov/servlets/purl/1323186. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1323186,
title = {Materials Data on Y(CuO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.},
doi = {10.17188/1323186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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