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Title: Materials Data on Ba3Y by Materials Project

Abstract

Ba3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Y atoms to form distorted BaBa8Y4 cuboctahedra that share corners with four equivalent YBa12 cuboctahedra, corners with fourteen equivalent BaBa8Y4 cuboctahedra, edges with six equivalent YBa12 cuboctahedra, edges with twelve equivalent BaBa8Y4 cuboctahedra, faces with four equivalent YBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Y4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.08–4.36 Å. There are two shorter (4.11 Å) and two longer (4.22 Å) Ba–Y bond lengths. Y is bonded to twelve equivalent Ba atoms to form YBa12 cuboctahedra that share corners with six equivalent YBa12 cuboctahedra, corners with twelve equivalent BaBa8Y4 cuboctahedra, edges with eighteen equivalent BaBa8Y4 cuboctahedra, faces with eight equivalent YBa12 cuboctahedra, and faces with twelve equivalent BaBa8Y4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1183355
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; Ba3Y; Ba-Y
OSTI Identifier:
1653031
DOI:
https://doi.org/10.17188/1653031

Citation Formats

The Materials Project. Materials Data on Ba3Y by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653031.
The Materials Project. Materials Data on Ba3Y by Materials Project. United States. doi:https://doi.org/10.17188/1653031
The Materials Project. 2020. "Materials Data on Ba3Y by Materials Project". United States. doi:https://doi.org/10.17188/1653031. https://www.osti.gov/servlets/purl/1653031. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1653031,
title = {Materials Data on Ba3Y by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Y atoms to form distorted BaBa8Y4 cuboctahedra that share corners with four equivalent YBa12 cuboctahedra, corners with fourteen equivalent BaBa8Y4 cuboctahedra, edges with six equivalent YBa12 cuboctahedra, edges with twelve equivalent BaBa8Y4 cuboctahedra, faces with four equivalent YBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Y4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.08–4.36 Å. There are two shorter (4.11 Å) and two longer (4.22 Å) Ba–Y bond lengths. Y is bonded to twelve equivalent Ba atoms to form YBa12 cuboctahedra that share corners with six equivalent YBa12 cuboctahedra, corners with twelve equivalent BaBa8Y4 cuboctahedra, edges with eighteen equivalent BaBa8Y4 cuboctahedra, faces with eight equivalent YBa12 cuboctahedra, and faces with twelve equivalent BaBa8Y4 cuboctahedra.},
doi = {10.17188/1653031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}