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Title: Materials Data on YbMoO5 by Materials Project

Abstract

YbMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.56 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.38 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Yb, one Mo, and one O atom. The O–O bond length is 2.00 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Yb and one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Mo atom.

Authors:
Publication Date:
Other Number(s):
mp-1207563
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; YbMoO5; Mo-O-Yb
OSTI Identifier:
1746653
DOI:
https://doi.org/10.17188/1746653

Citation Formats

The Materials Project. Materials Data on YbMoO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746653.
The Materials Project. Materials Data on YbMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1746653
The Materials Project. 2020. "Materials Data on YbMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1746653. https://www.osti.gov/servlets/purl/1746653. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746653,
title = {Materials Data on YbMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {YbMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.56 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.38 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Yb, one Mo, and one O atom. The O–O bond length is 2.00 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Yb and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Yb and one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Yb and one Mo atom.},
doi = {10.17188/1746653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}