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Title: Materials Data on Ba3Sm by Materials Project

Abstract

Ba3Sm 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 Sm atoms to form distorted BaBa8Sm4 cuboctahedra that share corners with four equivalent SmBa12 cuboctahedra, corners with fourteen equivalent BaBa8Sm4 cuboctahedra, edges with six equivalent SmBa12 cuboctahedra, edges with twelve equivalent BaBa8Sm4 cuboctahedra, faces with four equivalent SmBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Sm4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.09–4.39 Å. There are two shorter (4.12 Å) and two longer (4.24 Å) Ba–Sm bond lengths. Sm is bonded to twelve equivalent Ba atoms to form SmBa12 cuboctahedra that share corners with six equivalent SmBa12 cuboctahedra, corners with twelve equivalent BaBa8Sm4 cuboctahedra, edges with eighteen equivalent BaBa8Sm4 cuboctahedra, faces with eight equivalent SmBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sm4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1183357
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; Ba3Sm; Ba-Sm
OSTI Identifier:
1678569
DOI:
https://doi.org/10.17188/1678569

Citation Formats

The Materials Project. Materials Data on Ba3Sm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678569.
The Materials Project. Materials Data on Ba3Sm by Materials Project. United States. doi:https://doi.org/10.17188/1678569
The Materials Project. 2020. "Materials Data on Ba3Sm by Materials Project". United States. doi:https://doi.org/10.17188/1678569. https://www.osti.gov/servlets/purl/1678569. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678569,
title = {Materials Data on Ba3Sm by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Sm 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 Sm atoms to form distorted BaBa8Sm4 cuboctahedra that share corners with four equivalent SmBa12 cuboctahedra, corners with fourteen equivalent BaBa8Sm4 cuboctahedra, edges with six equivalent SmBa12 cuboctahedra, edges with twelve equivalent BaBa8Sm4 cuboctahedra, faces with four equivalent SmBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Sm4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.09–4.39 Å. There are two shorter (4.12 Å) and two longer (4.24 Å) Ba–Sm bond lengths. Sm is bonded to twelve equivalent Ba atoms to form SmBa12 cuboctahedra that share corners with six equivalent SmBa12 cuboctahedra, corners with twelve equivalent BaBa8Sm4 cuboctahedra, edges with eighteen equivalent BaBa8Sm4 cuboctahedra, faces with eight equivalent SmBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sm4 cuboctahedra.},
doi = {10.17188/1678569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}