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Title: Materials Data on Y2MnCrO6 by Materials Project

Abstract

Y2CrMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Cr–O bond distances ranging from 2.01–2.06 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Mn–O bond distances ranging from 1.93–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Mn2+ atoms. In the third O2- site, O2- is bonded to two equivalent Y3+, one Cr4+, and one Mn2+ atom to form distorted corner-sharing OY2MnCr trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1189214
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; Y2MnCrO6; Cr-Mn-O-Y
OSTI Identifier:
1748773
DOI:
https://doi.org/10.17188/1748773

Citation Formats

The Materials Project. Materials Data on Y2MnCrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748773.
The Materials Project. Materials Data on Y2MnCrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1748773
The Materials Project. 2020. "Materials Data on Y2MnCrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1748773. https://www.osti.gov/servlets/purl/1748773. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748773,
title = {Materials Data on Y2MnCrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2CrMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.26–2.70 Å. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of Cr–O bond distances ranging from 2.01–2.06 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent CrO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Mn–O bond distances ranging from 1.93–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Mn2+ atoms. In the third O2- site, O2- is bonded to two equivalent Y3+, one Cr4+, and one Mn2+ atom to form distorted corner-sharing OY2MnCr trigonal pyramids.},
doi = {10.17188/1748773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}