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Title: Materials Data on Ba2Eu3Si7 by Materials Project

Abstract

Ba2Eu3Si7 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are three shorter (3.51 Å) and six longer (3.52 Å) Ba–Si bond lengths. Eu+2.67+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are a spread of Eu–Si bond distances ranging from 3.13–3.26 Å. There are three inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six equivalent Eu+2.67+ and three equivalent Si+1.71- atoms. All Si–Si bond lengths are 2.40 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to two equivalent Ba2+, four equivalent Eu+2.67+, and three Si+1.71- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to four equivalent Ba2+, three equivalent Eu+2.67+, and two equivalent Si+1.71- atoms.

Publication Date:
Other Number(s):
mp-1102914
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; Ba2Eu3Si7; Ba-Eu-Si
OSTI Identifier:
1748983
DOI:
https://doi.org/10.17188/1748983

Citation Formats

The Materials Project. Materials Data on Ba2Eu3Si7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748983.
The Materials Project. Materials Data on Ba2Eu3Si7 by Materials Project. United States. doi:https://doi.org/10.17188/1748983
The Materials Project. 2020. "Materials Data on Ba2Eu3Si7 by Materials Project". United States. doi:https://doi.org/10.17188/1748983. https://www.osti.gov/servlets/purl/1748983. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748983,
title = {Materials Data on Ba2Eu3Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Eu3Si7 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are three shorter (3.51 Å) and six longer (3.52 Å) Ba–Si bond lengths. Eu+2.67+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are a spread of Eu–Si bond distances ranging from 3.13–3.26 Å. There are three inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six equivalent Eu+2.67+ and three equivalent Si+1.71- atoms. All Si–Si bond lengths are 2.40 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to two equivalent Ba2+, four equivalent Eu+2.67+, and three Si+1.71- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to four equivalent Ba2+, three equivalent Eu+2.67+, and two equivalent Si+1.71- atoms.},
doi = {10.17188/1748983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}