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Title: Materials Data on CaEu2BeO5 by Materials Project

Abstract

CaBeEu2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.81 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.61–1.68 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.89 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four Eu3+ atoms. In the fourth O2- site, O2- is bondedmore » in a 1-coordinate geometry to one Ca2+, one Be2+, and four Eu3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1227637
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; CaEu2BeO5; Be-Ca-Eu-O
OSTI Identifier:
1732665
DOI:
https://doi.org/10.17188/1732665

Citation Formats

The Materials Project. Materials Data on CaEu2BeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732665.
The Materials Project. Materials Data on CaEu2BeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1732665
The Materials Project. 2020. "Materials Data on CaEu2BeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1732665. https://www.osti.gov/servlets/purl/1732665. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1732665,
title = {Materials Data on CaEu2BeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaBeEu2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.81 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.61–1.68 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.89 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four Eu3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, one Be2+, and four Eu3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Be2+, and three Eu3+ atoms.},
doi = {10.17188/1732665},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}