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

Title: Materials Data on V2FeSn by Materials Project

Abstract

V2FeSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to four equivalent V, four Fe, and four Sn atoms to form distorted VV4Fe4Sn4 cuboctahedra that share corners with four equivalent SnV8Fe4 cuboctahedra, corners with six equivalent VV4Fe4Sn4 cuboctahedra, edges with six SnV8Fe4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with four SnV8Fe4 cuboctahedra. All V–V bond lengths are 2.62 Å. There are two shorter (2.42 Å) and two longer (3.14 Å) V–Fe bond lengths. There are two shorter (2.82 Å) and two longer (2.92 Å) V–Sn bond lengths. In the second V site, V is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. There are a spread of V–V bond distances ranging from 2.49–3.09 Å. Both V–Fe bond lengths are 2.67 Å. There are a spread of V–Sn bond distances ranging from 2.78–2.83 Å. In the third V site, V is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four Sn atoms. All V–Fe bond lengths are 2.64 Å. There are two shorter (2.82 Å) and two longer (2.88more » Å) V–Sn bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. Both Fe–V bond lengths are 2.67 Å. There are one shorter (2.51 Å) and one longer (3.11 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.78–2.84 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. Both Fe–V bond lengths are 2.64 Å. There are a spread of Fe–Sn bond distances ranging from 2.78–2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to eight V and four Fe atoms to form SnV8Fe4 cuboctahedra that share corners with four equivalent VV4Fe4Sn4 cuboctahedra, corners with six equivalent SnV8Fe4 cuboctahedra, edges with two equivalent VV4Fe4Sn4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with eight SnV8Fe4 cuboctahedra. In the second Sn site, Sn is bonded to eight V and four Fe atoms to form SnV8Fe4 cuboctahedra that share corners with six equivalent SnV8Fe4 cuboctahedra, edges with four equivalent VV4Fe4Sn4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with eight SnV8Fe4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1216897
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; V2FeSn; Fe-Sn-V
OSTI Identifier:
1738014
DOI:
https://doi.org/10.17188/1738014

Citation Formats

The Materials Project. Materials Data on V2FeSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738014.
The Materials Project. Materials Data on V2FeSn by Materials Project. United States. doi:https://doi.org/10.17188/1738014
The Materials Project. 2020. "Materials Data on V2FeSn by Materials Project". United States. doi:https://doi.org/10.17188/1738014. https://www.osti.gov/servlets/purl/1738014. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1738014,
title = {Materials Data on V2FeSn by Materials Project},
author = {The Materials Project},
abstractNote = {V2FeSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to four equivalent V, four Fe, and four Sn atoms to form distorted VV4Fe4Sn4 cuboctahedra that share corners with four equivalent SnV8Fe4 cuboctahedra, corners with six equivalent VV4Fe4Sn4 cuboctahedra, edges with six SnV8Fe4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with four SnV8Fe4 cuboctahedra. All V–V bond lengths are 2.62 Å. There are two shorter (2.42 Å) and two longer (3.14 Å) V–Fe bond lengths. There are two shorter (2.82 Å) and two longer (2.92 Å) V–Sn bond lengths. In the second V site, V is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. There are a spread of V–V bond distances ranging from 2.49–3.09 Å. Both V–Fe bond lengths are 2.67 Å. There are a spread of V–Sn bond distances ranging from 2.78–2.83 Å. In the third V site, V is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four Sn atoms. All V–Fe bond lengths are 2.64 Å. There are two shorter (2.82 Å) and two longer (2.88 Å) V–Sn bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. Both Fe–V bond lengths are 2.67 Å. There are one shorter (2.51 Å) and one longer (3.11 Å) Fe–Fe bond lengths. There are a spread of Fe–Sn bond distances ranging from 2.78–2.84 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six V, two equivalent Fe, and four Sn atoms. Both Fe–V bond lengths are 2.64 Å. There are a spread of Fe–Sn bond distances ranging from 2.78–2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to eight V and four Fe atoms to form SnV8Fe4 cuboctahedra that share corners with four equivalent VV4Fe4Sn4 cuboctahedra, corners with six equivalent SnV8Fe4 cuboctahedra, edges with two equivalent VV4Fe4Sn4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with eight SnV8Fe4 cuboctahedra. In the second Sn site, Sn is bonded to eight V and four Fe atoms to form SnV8Fe4 cuboctahedra that share corners with six equivalent SnV8Fe4 cuboctahedra, edges with four equivalent VV4Fe4Sn4 cuboctahedra, faces with two equivalent VV4Fe4Sn4 cuboctahedra, and faces with eight SnV8Fe4 cuboctahedra.},
doi = {10.17188/1738014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}