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Title: Materials Data on Sm2Co7B3 by Materials Project

Abstract

Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Sm and six equivalent Co atoms. Both Sm–Sm bond lengths are 3.30 Å. All Sm–Co bond lengths are 2.93 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Co, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.03 Å. All Sm–Co bond lengths are 2.92 Å. All Sm–B bond lengths are 2.93 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to two Sm, twelve Co, and six equivalent B atoms. There are six shorter (2.86 Å) and six longer (2.98 Å) Sm–Co bond lengths. All Sm–B bond lengths are 2.93 Å. There are three 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 two equivalent Sm, two equivalent Co, and two equivalent B atoms.more » Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four Sm and four B atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-505207
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; Sm2Co7B3; B-Co-Sm
OSTI Identifier:
1262363
DOI:
https://doi.org/10.17188/1262363

Citation Formats

The Materials Project. Materials Data on Sm2Co7B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262363.
The Materials Project. Materials Data on Sm2Co7B3 by Materials Project. United States. doi:https://doi.org/10.17188/1262363
The Materials Project. 2020. "Materials Data on Sm2Co7B3 by Materials Project". United States. doi:https://doi.org/10.17188/1262363. https://www.osti.gov/servlets/purl/1262363. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1262363,
title = {Materials Data on Sm2Co7B3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Sm and six equivalent Co atoms. Both Sm–Sm bond lengths are 3.30 Å. All Sm–Co bond lengths are 2.93 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Co, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.03 Å. All Sm–Co bond lengths are 2.92 Å. All Sm–B bond lengths are 2.93 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to two Sm, twelve Co, and six equivalent B atoms. There are six shorter (2.86 Å) and six longer (2.98 Å) Sm–Co bond lengths. All Sm–B bond lengths are 2.93 Å. There are three 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 two equivalent Sm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four Sm and four B atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Co atoms.},
doi = {10.17188/1262363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}