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Title: Materials Data on ErMoO5 by Materials Project

Abstract

ErMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.26–2.45 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Er and one Mo atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Er and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Er and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Er and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one Mo atom.

Authors:
Publication Date:
Other Number(s):
mp-1213170
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; ErMoO5; Er-Mo-O
OSTI Identifier:
1674879
DOI:
https://doi.org/10.17188/1674879

Citation Formats

The Materials Project. Materials Data on ErMoO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1674879.
The Materials Project. Materials Data on ErMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1674879
The Materials Project. 2019. "Materials Data on ErMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1674879. https://www.osti.gov/servlets/purl/1674879. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1674879,
title = {Materials Data on ErMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {ErMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.26–2.45 Å. Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Er and one Mo atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Er and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Er and one Mo atom. In the fourth O site, O is bonded in a linear geometry to one Er and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one Mo atom.},
doi = {10.17188/1674879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}