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Title: Materials Data on CaEu4O5 by Materials Project

Abstract

CaEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m 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 equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.46 Å) and two longer (2.52 Å) Ca–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one CaO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent CaO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.51–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form OCa2Eu4 octahedra that share corners with six OCa2Eu4 octahedra and edges with twelve equivalentmore » OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.« less

Authors:
Publication Date:
Other Number(s):
mp-1178520
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; CaEu4O5; Ca-Eu-O
OSTI Identifier:
1739176
DOI:
https://doi.org/10.17188/1739176

Citation Formats

The Materials Project. Materials Data on CaEu4O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739176.
The Materials Project. Materials Data on CaEu4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1739176
The Materials Project. 2020. "Materials Data on CaEu4O5 by Materials Project". United States. doi:https://doi.org/10.17188/1739176. https://www.osti.gov/servlets/purl/1739176. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1739176,
title = {Materials Data on CaEu4O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CaEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m 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 equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.46 Å) and two longer (2.52 Å) Ca–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one CaO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent CaO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.51–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form OCa2Eu4 octahedra that share corners with six OCa2Eu4 octahedra and edges with twelve equivalent OCaEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1739176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}