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Title: Materials Data on YFe6Co5Re by Materials Project

Abstract

YReFe6Co5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to one Re, twelve Fe, and seven Co atoms. The Y–Re bond length is 3.09 Å. There are a spread of Y–Fe bond distances ranging from 3.00–3.22 Å. There are a spread of Y–Co bond distances ranging from 2.98–3.02 Å. Re is bonded in a 10-coordinate geometry to one Y, six Fe, and seven Co atoms. There are four shorter (2.59 Å) and two longer (2.60 Å) Re–Fe bond lengths. There are a spread of Re–Co bond distances ranging from 2.39–2.87 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, one Re, four Fe, and five Co atoms to form a mixture of distorted face, edge, and corner-sharing FeY2Fe4Co5Re cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.42 Å. There are a spread of Fe–Co bond distances ranging from 2.41–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent Re, four equivalent Fe, and four Co atoms to form a mixture of distorted face, edge, and corner-sharing FeY2Fe4Co4Re2 cuboctahedra. There are twomore » shorter (2.62 Å) and two longer (2.69 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 distorted face, edge, and corner-sharing FeY2Fe4Co6 cuboctahedra. There are four shorter (2.58 Å) and two longer (2.71 Å) Fe–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Y, two equivalent Re, six Fe, and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.88 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Y, one Re, six Fe, and six Co atoms. Both Co–Co bond lengths are 2.59 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, one Re, six Fe, and three Co atoms.« less

Publication Date:
Other Number(s):
mp-1216006
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; YFe6Co5Re; Co-Fe-Re-Y
OSTI Identifier:
1727071
DOI:
https://doi.org/10.17188/1727071

Citation Formats

The Materials Project. Materials Data on YFe6Co5Re by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1727071.
The Materials Project. Materials Data on YFe6Co5Re by Materials Project. United States. doi:https://doi.org/10.17188/1727071
The Materials Project. 2019. "Materials Data on YFe6Co5Re by Materials Project". United States. doi:https://doi.org/10.17188/1727071. https://www.osti.gov/servlets/purl/1727071. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1727071,
title = {Materials Data on YFe6Co5Re by Materials Project},
author = {The Materials Project},
abstractNote = {YReFe6Co5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to one Re, twelve Fe, and seven Co atoms. The Y–Re bond length is 3.09 Å. There are a spread of Y–Fe bond distances ranging from 3.00–3.22 Å. There are a spread of Y–Co bond distances ranging from 2.98–3.02 Å. Re is bonded in a 10-coordinate geometry to one Y, six Fe, and seven Co atoms. There are four shorter (2.59 Å) and two longer (2.60 Å) Re–Fe bond lengths. There are a spread of Re–Co bond distances ranging from 2.39–2.87 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y, one Re, four Fe, and five Co atoms to form a mixture of distorted face, edge, and corner-sharing FeY2Fe4Co5Re cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.42 Å. There are a spread of Fe–Co bond distances ranging from 2.41–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent Re, four equivalent Fe, and four Co atoms to form a mixture of distorted face, edge, and corner-sharing FeY2Fe4Co4Re2 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.69 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 distorted face, edge, and corner-sharing FeY2Fe4Co6 cuboctahedra. There are four shorter (2.58 Å) and two longer (2.71 Å) Fe–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Y, two equivalent Re, six Fe, and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.88 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Y, one Re, six Fe, and six Co atoms. Both Co–Co bond lengths are 2.59 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Y, one Re, six Fe, and three Co atoms.},
doi = {10.17188/1727071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}