DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmCo3 by Materials Project

Abstract

SmCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.16 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of face, edge, and corner-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra.

Publication Date:
Other Number(s):
mp-1101053
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; SmCo3; Co-Sm
OSTI Identifier:
1676856
DOI:
https://doi.org/10.17188/1676856

Citation Formats

The Materials Project. Materials Data on SmCo3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1676856.
The Materials Project. Materials Data on SmCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1676856
The Materials Project. 2018. "Materials Data on SmCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1676856. https://www.osti.gov/servlets/purl/1676856. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1676856,
title = {Materials Data on SmCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.16 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of face, edge, and corner-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra.},
doi = {10.17188/1676856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}