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Title: Materials Data on Sm2VFe16 by Materials Project

Abstract

Sm2VFe16 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 Fe atoms. There are a spread of Sm–Fe bond distances ranging from 3.01–3.29 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one V and eighteen Fe atoms. The Sm–V bond length is 3.17 Å. There are a spread of Sm–Fe bond distances ranging from 3.01–3.30 Å. V is bonded in a 1-coordinate geometry to one Sm and thirteen Fe atoms. There are a spread of V–Fe bond distances ranging from 2.30–2.76 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to three Sm, one V, and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3VFe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.44–2.63 Å. In the second Fe site, Fe is bonded to three Sm and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.64 Å. In the third Fe site, Femore » is bonded to two Sm, one V, and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeSm2VFe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.62 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two Sm, one V, and nine Fe atoms. There are two shorter (2.51 Å) and one longer (2.76 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to one Sm, one V, and twelve Fe atoms.« less

Publication Date:
Other Number(s):
mp-1219218
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; Sm2VFe16; Fe-Sm-V
OSTI Identifier:
1651475
DOI:
https://doi.org/10.17188/1651475

Citation Formats

The Materials Project. Materials Data on Sm2VFe16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651475.
The Materials Project. Materials Data on Sm2VFe16 by Materials Project. United States. doi:https://doi.org/10.17188/1651475
The Materials Project. 2020. "Materials Data on Sm2VFe16 by Materials Project". United States. doi:https://doi.org/10.17188/1651475. https://www.osti.gov/servlets/purl/1651475. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1651475,
title = {Materials Data on Sm2VFe16 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2VFe16 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 Fe atoms. There are a spread of Sm–Fe bond distances ranging from 3.01–3.29 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one V and eighteen Fe atoms. The Sm–V bond length is 3.17 Å. There are a spread of Sm–Fe bond distances ranging from 3.01–3.30 Å. V is bonded in a 1-coordinate geometry to one Sm and thirteen Fe atoms. There are a spread of V–Fe bond distances ranging from 2.30–2.76 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to three Sm, one V, and eight Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3VFe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.44–2.63 Å. In the second Fe site, Fe is bonded to three Sm and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.64 Å. In the third Fe site, Fe is bonded to two Sm, one V, and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeSm2VFe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.62 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two Sm, one V, and nine Fe atoms. There are two shorter (2.51 Å) and one longer (2.76 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to one Sm, one V, and twelve Fe atoms.},
doi = {10.17188/1651475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}