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Title: Materials Data on Sr3Sm by Materials Project

Abstract

Sr3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Sm atoms to form distorted SrSr8Sm4 cuboctahedra that share corners with four equivalent SmSr12 cuboctahedra, corners with fourteen equivalent SrSr8Sm4 cuboctahedra, edges with six equivalent SmSr12 cuboctahedra, edges with twelve equivalent SrSr8Sm4 cuboctahedra, faces with four equivalent SmSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Sm4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.96–4.22 Å. There are two shorter (3.99 Å) and two longer (4.09 Å) Sr–Sm bond lengths. Sm is bonded to twelve equivalent Sr atoms to form SmSr12 cuboctahedra that share corners with six equivalent SmSr12 cuboctahedra, corners with twelve equivalent SrSr8Sm4 cuboctahedra, edges with eighteen equivalent SrSr8Sm4 cuboctahedra, faces with eight equivalent SmSr12 cuboctahedra, and faces with twelve equivalent SrSr8Sm4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1187166
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; Sr3Sm; Sm-Sr
OSTI Identifier:
1738063
DOI:
https://doi.org/10.17188/1738063

Citation Formats

The Materials Project. Materials Data on Sr3Sm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738063.
The Materials Project. Materials Data on Sr3Sm by Materials Project. United States. doi:https://doi.org/10.17188/1738063
The Materials Project. 2020. "Materials Data on Sr3Sm by Materials Project". United States. doi:https://doi.org/10.17188/1738063. https://www.osti.gov/servlets/purl/1738063. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738063,
title = {Materials Data on Sr3Sm by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Sm atoms to form distorted SrSr8Sm4 cuboctahedra that share corners with four equivalent SmSr12 cuboctahedra, corners with fourteen equivalent SrSr8Sm4 cuboctahedra, edges with six equivalent SmSr12 cuboctahedra, edges with twelve equivalent SrSr8Sm4 cuboctahedra, faces with four equivalent SmSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Sm4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.96–4.22 Å. There are two shorter (3.99 Å) and two longer (4.09 Å) Sr–Sm bond lengths. Sm is bonded to twelve equivalent Sr atoms to form SmSr12 cuboctahedra that share corners with six equivalent SmSr12 cuboctahedra, corners with twelve equivalent SrSr8Sm4 cuboctahedra, edges with eighteen equivalent SrSr8Sm4 cuboctahedra, faces with eight equivalent SmSr12 cuboctahedra, and faces with twelve equivalent SrSr8Sm4 cuboctahedra.},
doi = {10.17188/1738063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}