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Title: Materials Data on Y2CuO4 by Materials Project

Abstract

Y2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.44 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.

Publication Date:
Other Number(s):
mp-755924
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; Y2CuO4; Cu-O-Y
OSTI Identifier:
1290269
DOI:
10.17188/1290269

Citation Formats

The Materials Project. Materials Data on Y2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290269.
The Materials Project. Materials Data on Y2CuO4 by Materials Project. United States. doi:10.17188/1290269.
The Materials Project. 2020. "Materials Data on Y2CuO4 by Materials Project". United States. doi:10.17188/1290269. https://www.osti.gov/servlets/purl/1290269. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1290269,
title = {Materials Data on Y2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2CuO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.44 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.},
doi = {10.17188/1290269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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