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Title: Materials Data on Ca3Eu by Materials Project

Abstract

Ca3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Eu atoms to form CaCa8Eu4 cuboctahedra that share corners with four equivalent EuCa12 cuboctahedra, corners with fourteen equivalent CaCa8Eu4 cuboctahedra, edges with six equivalent EuCa12 cuboctahedra, edges with twelve equivalent CaCa8Eu4 cuboctahedra, faces with four equivalent EuCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Eu4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.90–3.95 Å. There are two shorter (3.91 Å) and two longer (3.94 Å) Ca–Eu bond lengths. Eu is bonded to twelve equivalent Ca atoms to form EuCa12 cuboctahedra that share corners with six equivalent EuCa12 cuboctahedra, corners with twelve equivalent CaCa8Eu4 cuboctahedra, edges with eighteen equivalent CaCa8Eu4 cuboctahedra, faces with eight equivalent EuCa12 cuboctahedra, and faces with twelve equivalent CaCa8Eu4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1183960
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca3Eu; Ca-Eu
OSTI Identifier:
1759289
DOI:
https://doi.org/10.17188/1759289

Citation Formats

The Materials Project. Materials Data on Ca3Eu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759289.
The Materials Project. Materials Data on Ca3Eu by Materials Project. United States. doi:https://doi.org/10.17188/1759289
The Materials Project. 2020. "Materials Data on Ca3Eu by Materials Project". United States. doi:https://doi.org/10.17188/1759289. https://www.osti.gov/servlets/purl/1759289. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759289,
title = {Materials Data on Ca3Eu by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Eu atoms to form CaCa8Eu4 cuboctahedra that share corners with four equivalent EuCa12 cuboctahedra, corners with fourteen equivalent CaCa8Eu4 cuboctahedra, edges with six equivalent EuCa12 cuboctahedra, edges with twelve equivalent CaCa8Eu4 cuboctahedra, faces with four equivalent EuCa12 cuboctahedra, and faces with sixteen equivalent CaCa8Eu4 cuboctahedra. There are a spread of Ca–Ca bond distances ranging from 3.90–3.95 Å. There are two shorter (3.91 Å) and two longer (3.94 Å) Ca–Eu bond lengths. Eu is bonded to twelve equivalent Ca atoms to form EuCa12 cuboctahedra that share corners with six equivalent EuCa12 cuboctahedra, corners with twelve equivalent CaCa8Eu4 cuboctahedra, edges with eighteen equivalent CaCa8Eu4 cuboctahedra, faces with eight equivalent EuCa12 cuboctahedra, and faces with twelve equivalent CaCa8Eu4 cuboctahedra.},
doi = {10.17188/1759289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}