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Title: Materials Data on Y(CuO2)2 by Materials Project

Abstract

(CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.41 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra.

Publication Date:
Other Number(s):
mp-22618
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)2; Cu-O-Y
OSTI Identifier:
1198827
DOI:
10.17188/1198827

Citation Formats

The Materials Project. Materials Data on Y(CuO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198827.
The Materials Project. Materials Data on Y(CuO2)2 by Materials Project. United States. doi:10.17188/1198827.
The Materials Project. 2020. "Materials Data on Y(CuO2)2 by Materials Project". United States. doi:10.17188/1198827. https://www.osti.gov/servlets/purl/1198827. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198827,
title = {Materials Data on Y(CuO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.41 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra.},
doi = {10.17188/1198827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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