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Title: Materials Data on YCrO3 by Materials Project

Abstract

YCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 2.25–2.71 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.02 Å) and two longer (2.03 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Cr3+ atoms to form distorted corner-sharing OY2Cr2 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-18725
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; YCrO3; Cr-O-Y
OSTI Identifier:
1183675
DOI:
10.17188/1183675

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YCrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183675.
Persson, Kristin, & Project, Materials. Materials Data on YCrO3 by Materials Project. United States. doi:10.17188/1183675.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YCrO3 by Materials Project". United States. doi:10.17188/1183675. https://www.osti.gov/servlets/purl/1183675. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1183675,
title = {Materials Data on YCrO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 2.25–2.71 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.02 Å) and two longer (2.03 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Cr3+ atoms to form distorted corner-sharing OY2Cr2 trigonal pyramids.},
doi = {10.17188/1183675},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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