skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CaEu2(CuO3)2 by Materials Project

Abstract

CaEu2(CuO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.84 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.59 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OEu4Cu trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Eu3+, and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, two equivalent Eu3+, and one Cu2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1271778
Report Number(s):
mp-561024
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; CaEu2(CuO3)2; Ca-Cu-Eu-O

Citation Formats

The Materials Project. Materials Data on CaEu2(CuO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271778.
The Materials Project. Materials Data on CaEu2(CuO3)2 by Materials Project. United States. https://doi.org/10.17188/1271778
The Materials Project. 2020. "Materials Data on CaEu2(CuO3)2 by Materials Project". United States. https://doi.org/10.17188/1271778. https://www.osti.gov/servlets/purl/1271778.
@article{osti_1271778,
title = {Materials Data on CaEu2(CuO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaEu2(CuO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.84 Å. Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.59 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–1.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OEu4Cu trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, one Eu3+, and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+, two equivalent Eu3+, and one Cu2+ atom.},
doi = {10.17188/1271778},
url = {https://www.osti.gov/biblio/1271778}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}