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Title: Materials Data on DyMnCrO5 by Materials Project

Abstract

DyCrMnO5 crystallizes in the orthorhombic Pbam 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 2.34–2.47 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent MnO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.92–1.99 Å. Mn2+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one MnO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Mn–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Cr5+ atoms to form a mixture of distorted edge and corner-sharing ODy2Cr2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Cr5+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Mn2+ atoms.more » In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr5+ and one Mn2+ atom.« less

Publication Date:
Other Number(s):
mp-1213015
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; DyMnCrO5; Cr-Dy-Mn-O
OSTI Identifier:
1728952
DOI:
https://doi.org/10.17188/1728952

Citation Formats

The Materials Project. Materials Data on DyMnCrO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728952.
The Materials Project. Materials Data on DyMnCrO5 by Materials Project. United States. doi:https://doi.org/10.17188/1728952
The Materials Project. 2020. "Materials Data on DyMnCrO5 by Materials Project". United States. doi:https://doi.org/10.17188/1728952. https://www.osti.gov/servlets/purl/1728952. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1728952,
title = {Materials Data on DyMnCrO5 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCrMnO5 crystallizes in the orthorhombic Pbam 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 2.34–2.47 Å. Cr5+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent MnO5 square pyramids and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.92–1.99 Å. Mn2+ is bonded to five O2- atoms to form MnO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one MnO5 square pyramid. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Mn–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Cr5+ atoms to form a mixture of distorted edge and corner-sharing ODy2Cr2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Cr5+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Mn2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr5+ and one Mn2+ atom.},
doi = {10.17188/1728952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}