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Title: Materials Data on YbMnFeO5 by Materials Project

Abstract

YbFeMnO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.48 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent FeO5 square pyramids and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. Fe3+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with four equivalent MnO6 octahedra and an edgeedge with one FeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Fe–O bond distances ranging from 1.85–1.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+, one Mn4+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bondedmore » in a distorted trigonal planar geometry to two equivalent Mn4+ and one Fe3+ atom.« less

Publication Date:
Other Number(s):
mp-1207564
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; YbMnFeO5; Fe-Mn-O-Yb
OSTI Identifier:
1662844
DOI:
https://doi.org/10.17188/1662844

Citation Formats

The Materials Project. Materials Data on YbMnFeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662844.
The Materials Project. Materials Data on YbMnFeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1662844
The Materials Project. 2020. "Materials Data on YbMnFeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1662844. https://www.osti.gov/servlets/purl/1662844. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1662844,
title = {Materials Data on YbMnFeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {YbFeMnO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.48 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent FeO5 square pyramids and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–1.94 Å. Fe3+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with four equivalent MnO6 octahedra and an edgeedge with one FeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Fe–O bond distances ranging from 1.85–1.88 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+, one Mn4+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Fe3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn4+ and one Fe3+ atom.},
doi = {10.17188/1662844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}