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Title: Materials Data on Gd2CuO4 by Materials Project

Abstract

Gd2CuO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.87 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Gd3+ and two equivalent Cu2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-676060
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; Gd2CuO4; Cu-Gd-O
OSTI Identifier:
1282923
DOI:
https://doi.org/10.17188/1282923

Citation Formats

The Materials Project. Materials Data on Gd2CuO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1282923.
The Materials Project. Materials Data on Gd2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1282923
The Materials Project. 2017. "Materials Data on Gd2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1282923. https://www.osti.gov/servlets/purl/1282923. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1282923,
title = {Materials Data on Gd2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2CuO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.87 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Gd3+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1282923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}