U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1213170
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-Mo-O; ErMoO5; crystal structure
- OSTI Identifier:
- 1674879
- DOI:
- https://doi.org/10.17188/1674879
Citation Formats
Materials Data on ErMoO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674879.
Materials Data on ErMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1674879
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1674879,
title = {Materials Data on ErMoO5 by 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}
}