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Title: Materials Data on Dy(CrFe5)2 by Materials Project

Abstract

DyFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Dy–Cr bond lengths are 3.11 Å. There are a spread of Dy–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Dy, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.24 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.71 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, and eight Fe atoms. There are four shorter (2.41 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Dy, two equivalent Cr, and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeDy2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.59 Å)more » Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Dy, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.36 Å.« less

Publication Date:
Other Number(s):
mp-1225683
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; Dy(CrFe5)2; Cr-Dy-Fe
OSTI Identifier:
1724885
DOI:
https://doi.org/10.17188/1724885

Citation Formats

The Materials Project. Materials Data on Dy(CrFe5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724885.
The Materials Project. Materials Data on Dy(CrFe5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1724885
The Materials Project. 2019. "Materials Data on Dy(CrFe5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1724885. https://www.osti.gov/servlets/purl/1724885. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1724885,
title = {Materials Data on Dy(CrFe5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Dy–Cr bond lengths are 3.11 Å. There are a spread of Dy–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Dy, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.24 Å. There are a spread of Cr–Fe bond distances ranging from 2.56–2.85 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.71 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Cr, and eight Fe atoms. There are four shorter (2.41 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Dy, two equivalent Cr, and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeDy2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Dy, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.36 Å.},
doi = {10.17188/1724885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}