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Title: Materials Data on YMnO3 by Materials Project

Abstract

YMnO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.31 Å. Mn3+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are two shorter (1.90 Å) and three longer (2.10 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Mn3+ atom to form a mixture of corner and edge-sharing OY3Mn tetrahedra.

Publication Date:
Other Number(s):
mp-19227
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; YMnO3; Mn-O-Y
OSTI Identifier:
1194088
DOI:
https://doi.org/10.17188/1194088

Citation Formats

The Materials Project. Materials Data on YMnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194088.
The Materials Project. Materials Data on YMnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1194088
The Materials Project. 2020. "Materials Data on YMnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1194088. https://www.osti.gov/servlets/purl/1194088. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1194088,
title = {Materials Data on YMnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {YMnO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- atoms. All Y–O bond lengths are 2.31 Å. Mn3+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are two shorter (1.90 Å) and three longer (2.10 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Mn3+ atom to form a mixture of corner and edge-sharing OY3Mn tetrahedra.},
doi = {10.17188/1194088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}