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Title: Materials Data on Sm3Sc by Materials Project

Abstract

Sm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with twelve equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with fourteen SmSm8Sc4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.56 Å) Sm–Sm bond lengths. All Sm–Sc bond lengths are 3.54 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with four equivalent SmSm8Sc4 cuboctahedra, corners with eight equivalent ScSm12 cuboctahedra, edges with twenty-four SmSm8Sc4 cuboctahedra, faces with six equivalent ScSm12 cuboctahedra, and faces with twelve SmSm8Sc4 cuboctahedra. All Sm–Sc bond lengths are 3.56 Å. Sc is bonded to twelve Sm atoms to form ScSm12 cuboctahedra that share corners with four equivalent ScSm12 cuboctahedra, corners with eight equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen equivalent SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces withmore » fourteen SmSm8Sc4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-972479
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; Sm3Sc; Sc-Sm
OSTI Identifier:
1313849
DOI:
https://doi.org/10.17188/1313849

Citation Formats

The Materials Project. Materials Data on Sm3Sc by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313849.
The Materials Project. Materials Data on Sm3Sc by Materials Project. United States. doi:https://doi.org/10.17188/1313849
The Materials Project. 2020. "Materials Data on Sm3Sc by Materials Project". United States. doi:https://doi.org/10.17188/1313849. https://www.osti.gov/servlets/purl/1313849. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313849,
title = {Materials Data on Sm3Sc by Materials Project},
author = {The Materials Project},
abstractNote = {Sm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to eight Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with twelve equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with fourteen SmSm8Sc4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.56 Å) Sm–Sm bond lengths. All Sm–Sc bond lengths are 3.54 Å. In the second Sm site, Sm is bonded to eight equivalent Sm and four equivalent Sc atoms to form SmSm8Sc4 cuboctahedra that share corners with four equivalent SmSm8Sc4 cuboctahedra, corners with eight equivalent ScSm12 cuboctahedra, edges with twenty-four SmSm8Sc4 cuboctahedra, faces with six equivalent ScSm12 cuboctahedra, and faces with twelve SmSm8Sc4 cuboctahedra. All Sm–Sc bond lengths are 3.56 Å. Sc is bonded to twelve Sm atoms to form ScSm12 cuboctahedra that share corners with four equivalent ScSm12 cuboctahedra, corners with eight equivalent SmSm8Sc4 cuboctahedra, edges with eight equivalent ScSm12 cuboctahedra, edges with sixteen equivalent SmSm8Sc4 cuboctahedra, faces with four equivalent ScSm12 cuboctahedra, and faces with fourteen SmSm8Sc4 cuboctahedra.},
doi = {10.17188/1313849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}