U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YV2(FeCo)5 by Materials Project
Abstract
YV2(FeCo)5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two V, ten Fe, and eight Co atoms. There are one shorter (3.01 Å) and one longer (3.04 Å) Y–V bond lengths. There are a spread of Y–Fe bond distances ranging from 3.02–3.22 Å. There are a spread of Y–Co bond distances ranging from 3.00–3.02 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to one Y, one V, six Fe, and six Co atoms. The V–V bond length is 2.40 Å. There are four shorter (2.58 Å) and two longer (2.59 Å) V–Fe bond lengths. There are two shorter (2.60 Å) and four longer (2.88 Å) V–Co bond lengths. In the second V site, V is bonded in a 10-coordinate geometry to one Y, one V, four equivalent Fe, and eight Co atoms. All V–Fe bond lengths are 2.57 Å. There are four shorter (2.60 Å) and four longer (2.89 Å) V–Co bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, two V, three Fe, and five Comore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1215819
- 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; YV2(FeCo)5; Co-Fe-V-Y
- OSTI Identifier:
- 1711613
- DOI:
- https://doi.org/10.17188/1711613
Citation Formats
The Materials Project. Materials Data on YV2(FeCo)5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711613.
The Materials Project. Materials Data on YV2(FeCo)5 by Materials Project. United States. doi:https://doi.org/10.17188/1711613
The Materials Project. 2019.
"Materials Data on YV2(FeCo)5 by Materials Project". United States. doi:https://doi.org/10.17188/1711613. https://www.osti.gov/servlets/purl/1711613. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711613,
title = {Materials Data on YV2(FeCo)5 by Materials Project},
author = {The Materials Project},
abstractNote = {YV2(FeCo)5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two V, ten Fe, and eight Co atoms. There are one shorter (3.01 Å) and one longer (3.04 Å) Y–V bond lengths. There are a spread of Y–Fe bond distances ranging from 3.02–3.22 Å. There are a spread of Y–Co bond distances ranging from 3.00–3.02 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 9-coordinate geometry to one Y, one V, six Fe, and six Co atoms. The V–V bond length is 2.40 Å. There are four shorter (2.58 Å) and two longer (2.59 Å) V–Fe bond lengths. There are two shorter (2.60 Å) and four longer (2.88 Å) V–Co bond lengths. In the second V site, V is bonded in a 10-coordinate geometry to one Y, one V, four equivalent Fe, and eight Co atoms. All V–Fe bond lengths are 2.57 Å. There are four shorter (2.60 Å) and four longer (2.89 Å) V–Co bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, two V, three Fe, and five Co atoms to form distorted FeY2V2Fe3Co5 cuboctahedra that share corners with twelve FeY2V2Fe3Co5 cuboctahedra, edges with five FeY2V2Fe4Co4 cuboctahedra, and faces with eight FeY2V2Fe3Co5 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.43 Å. There are a spread of Fe–Co bond distances ranging from 2.41–2.59 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent V, four equivalent Fe, and four Co atoms to form distorted FeY2V2Fe4Co4 cuboctahedra that share corners with eight equivalent FeY2V2Fe3Co5 cuboctahedra, edges with six FeY2V2Fe4Co4 cuboctahedra, and faces with eight equivalent FeY2V2Fe3Co5 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.69 Å) Fe–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, two V, five Fe, and three Co atoms. There are two shorter (2.59 Å) and one longer (2.69 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent V, four equivalent Fe, and four Co atoms. Both Co–Co bond lengths are 2.63 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to one Y, four V, five Fe, and four Co atoms. The Co–Co bond length is 2.38 Å.},
doi = {10.17188/1711613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}