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Title: Materials Data on YFe6Co5W by Materials Project

Abstract

YWFe6Co5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to one W, twelve Fe, and seven Co atoms. The Y–W bond length is 3.16 Å. There are a spread of Y–Fe bond distances ranging from 3.03–3.22 Å. There are a spread of Y–Co bond distances ranging from 2.93–3.04 Å. W is bonded in a 1-coordinate geometry to one Y, six Fe, and seven Co atoms. There are four shorter (2.64 Å) and two longer (2.65 Å) W–Fe bond lengths. There are a spread of W–Co bond distances ranging from 2.36–2.85 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, one W, four Fe, and five Co atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe4Co5W cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.43 Å. There are a spread of Fe–Co bond distances ranging from 2.40–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent W, four equivalent Fe, and four Co atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe4Co4W2 cuboctahedra. There are twomore » shorter (2.59 Å) and two longer (2.68 Å) Fe–Co bond lengths. In the third Fe site, Fe is bonded to two equivalent Y, four equivalent Fe, and six Co atoms to form a mixture of corner, edge, and face-sharing FeY2Fe4Co6 cuboctahedra. There are a spread of Fe–Co bond distances ranging from 2.56–2.71 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Y, two equivalent W, six Fe, and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.92 Å. In the second Co site, Co is bonded in a distorted single-bond geometry to one Y, one W, six Fe, and six Co atoms. Both Co–Co bond lengths are 2.65 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, one W, six Fe, and three Co atoms.« less

Publication Date:
Other Number(s):
mp-1216155
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; YFe6Co5W; Co-Fe-W-Y
OSTI Identifier:
1724693
DOI:
https://doi.org/10.17188/1724693

Citation Formats

The Materials Project. Materials Data on YFe6Co5W by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724693.
The Materials Project. Materials Data on YFe6Co5W by Materials Project. United States. doi:https://doi.org/10.17188/1724693
The Materials Project. 2019. "Materials Data on YFe6Co5W by Materials Project". United States. doi:https://doi.org/10.17188/1724693. https://www.osti.gov/servlets/purl/1724693. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1724693,
title = {Materials Data on YFe6Co5W by Materials Project},
author = {The Materials Project},
abstractNote = {YWFe6Co5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to one W, twelve Fe, and seven Co atoms. The Y–W bond length is 3.16 Å. There are a spread of Y–Fe bond distances ranging from 3.03–3.22 Å. There are a spread of Y–Co bond distances ranging from 2.93–3.04 Å. W is bonded in a 1-coordinate geometry to one Y, six Fe, and seven Co atoms. There are four shorter (2.64 Å) and two longer (2.65 Å) W–Fe bond lengths. There are a spread of W–Co bond distances ranging from 2.36–2.85 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, one W, four Fe, and five Co atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe4Co5W cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.43 Å. There are a spread of Fe–Co bond distances ranging from 2.40–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent W, four equivalent Fe, and four Co atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe4Co4W2 cuboctahedra. There are two shorter (2.59 Å) and two longer (2.68 Å) Fe–Co bond lengths. In the third Fe site, Fe is bonded to two equivalent Y, four equivalent Fe, and six Co atoms to form a mixture of corner, edge, and face-sharing FeY2Fe4Co6 cuboctahedra. There are a spread of Fe–Co bond distances ranging from 2.56–2.71 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Y, two equivalent W, six Fe, and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.92 Å. In the second Co site, Co is bonded in a distorted single-bond geometry to one Y, one W, six Fe, and six Co atoms. Both Co–Co bond lengths are 2.65 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, one W, six Fe, and three Co atoms.},
doi = {10.17188/1724693},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}