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Title: Materials Data on Dy2CrFeO6 by Materials Project

Abstract

Dy2CrFeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.73 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Cr–O bond distances ranging from 2.02–2.04 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are four shorter (2.03 Å) and two longer (2.04 Å) Fe–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+, one Cr3+, and one Fe3+ atom to form distorted corner-sharing ODy2CrFe trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1232352
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; Dy2CrFeO6; Cr-Dy-Fe-O
OSTI Identifier:
1743868
DOI:
https://doi.org/10.17188/1743868

Citation Formats

The Materials Project. Materials Data on Dy2CrFeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743868.
The Materials Project. Materials Data on Dy2CrFeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1743868
The Materials Project. 2020. "Materials Data on Dy2CrFeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1743868. https://www.osti.gov/servlets/purl/1743868. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1743868,
title = {Materials Data on Dy2CrFeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2CrFeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.73 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Cr–O bond distances ranging from 2.02–2.04 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are four shorter (2.03 Å) and two longer (2.04 Å) Fe–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+, one Cr3+, and one Fe3+ atom to form distorted corner-sharing ODy2CrFe trigonal pyramids.},
doi = {10.17188/1743868},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}