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Title: Materials Data on SmCo4B by Materials Project

Abstract

SmCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.92 Å) and twelve longer (3.20 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Sm–Co bond lengths are 2.91 Å. All Sm–B bond lengths are 2.92 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four Sm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102597
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; SmCo4B; B-Co-Sm
OSTI Identifier:
1652936
DOI:
https://doi.org/10.17188/1652936

Citation Formats

The Materials Project. Materials Data on SmCo4B by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1652936.
The Materials Project. Materials Data on SmCo4B by Materials Project. United States. doi:https://doi.org/10.17188/1652936
The Materials Project. 2018. "Materials Data on SmCo4B by Materials Project". United States. doi:https://doi.org/10.17188/1652936. https://www.osti.gov/servlets/purl/1652936. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1652936,
title = {Materials Data on SmCo4B by Materials Project},
author = {The Materials Project},
abstractNote = {SmCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.92 Å) and twelve longer (3.20 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Sm–Co bond lengths are 2.91 Å. All Sm–B bond lengths are 2.92 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four Sm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms.},
doi = {10.17188/1652936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}