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Title: Materials Data on YMn4(CuO4)3 by Materials Project

Abstract

YCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Y–O bond lengths are 2.57 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Mn–O bond lengths are 1.98 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Y3+, two equivalent Mn+4.50+, and one Cu1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504836
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; YMn4(CuO4)3; Cu-Mn-O-Y
OSTI Identifier:
1262085
DOI:
10.17188/1262085

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YMn4(CuO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262085.
Persson, Kristin, & Project, Materials. Materials Data on YMn4(CuO4)3 by Materials Project. United States. doi:10.17188/1262085.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YMn4(CuO4)3 by Materials Project". United States. doi:10.17188/1262085. https://www.osti.gov/servlets/purl/1262085. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1262085,
title = {Materials Data on YMn4(CuO4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YCu3Mn4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Y–O bond lengths are 2.57 Å. Mn+4.50+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Mn–O bond lengths are 1.98 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Y3+, two equivalent Mn+4.50+, and one Cu1+ atom.},
doi = {10.17188/1262085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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