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Title: Materials Data on Sm2VCo16 by Materials Project

Abstract

Sm2VCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.99–3.25 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one V and eighteen Co atoms. The Sm–V bond length is 3.17 Å. There are a spread of Sm–Co bond distances ranging from 2.98–3.29 Å. V is bonded in a 1-coordinate geometry to one Sm and thirteen Co atoms. There are a spread of V–Co bond distances ranging from 2.28–2.67 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to three Sm, one V, and eight Co atoms to form a mixture of corner, edge, and face-sharing CoSm3VCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the second Co site, Co is bonded to three Sm and nine Co atoms to form a mixture of corner, edge, and face-sharing CoSm3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.59 Å. In the third Co site, Comore » is bonded to two Sm, one V, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoSm2VCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.68 Å. In the fourth Co site, Co is bonded to two Sm, one V, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoSm2VCo9 cuboctahedra. The Co–Co bond length is 2.57 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one Sm, one V, and twelve Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1219230
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; Sm2VCo16; Co-Sm-V
OSTI Identifier:
1689027
DOI:
https://doi.org/10.17188/1689027

Citation Formats

The Materials Project. Materials Data on Sm2VCo16 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689027.
The Materials Project. Materials Data on Sm2VCo16 by Materials Project. United States. doi:https://doi.org/10.17188/1689027
The Materials Project. 2019. "Materials Data on Sm2VCo16 by Materials Project". United States. doi:https://doi.org/10.17188/1689027. https://www.osti.gov/servlets/purl/1689027. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1689027,
title = {Materials Data on Sm2VCo16 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2VCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.99–3.25 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one V and eighteen Co atoms. The Sm–V bond length is 3.17 Å. There are a spread of Sm–Co bond distances ranging from 2.98–3.29 Å. V is bonded in a 1-coordinate geometry to one Sm and thirteen Co atoms. There are a spread of V–Co bond distances ranging from 2.28–2.67 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to three Sm, one V, and eight Co atoms to form a mixture of corner, edge, and face-sharing CoSm3VCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.57 Å. In the second Co site, Co is bonded to three Sm and nine Co atoms to form a mixture of corner, edge, and face-sharing CoSm3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.59 Å. In the third Co site, Co is bonded to two Sm, one V, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoSm2VCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.68 Å. In the fourth Co site, Co is bonded to two Sm, one V, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoSm2VCo9 cuboctahedra. The Co–Co bond length is 2.57 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one Sm, one V, and twelve Co atoms.},
doi = {10.17188/1689027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}