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Title: Materials Data on CaEu2O3 by Materials Project

Abstract

CaEu2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with two equivalent CaO6 octahedra, and edges with ten EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.50–2.57 Å. In the second Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.51 Å) and two longer (2.55 Å) Eu–Omore » bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.« less

Authors:
Publication Date:
Other Number(s):
mp-756244
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; CaEu2O3; Ca-Eu-O
OSTI Identifier:
1290454
DOI:
https://doi.org/10.17188/1290454

Citation Formats

The Materials Project. Materials Data on CaEu2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290454.
The Materials Project. Materials Data on CaEu2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1290454
The Materials Project. 2020. "Materials Data on CaEu2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1290454. https://www.osti.gov/servlets/purl/1290454. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1290454,
title = {Materials Data on CaEu2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaEu2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with two equivalent CaO6 octahedra, and edges with ten EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.50–2.57 Å. In the second Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.51 Å) and two longer (2.55 Å) Eu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1290454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}