U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbMoClO4 by Materials Project
Abstract
YbMoO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Yb–O bond distances ranging from 2.26–2.53 Å. The Yb–Cl bond length is 3.13 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. Cl1- is bonded in a 2-coordinate geometry to one Yb3+ and one Cl1- atom. The Cl–Cl bond length is 1.99 Å.
- Publication Date:
- Other Number(s):
- mp-1178661
- 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; Cl-Mo-O-Yb; YbMoClO4; crystal structure
- OSTI Identifier:
- 1738372
- DOI:
- https://doi.org/10.17188/1738372
Citation Formats
Materials Data on YbMoClO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738372.
Materials Data on YbMoClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1738372
2020.
"Materials Data on YbMoClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1738372. https://www.osti.gov/servlets/purl/1738372. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1738372,
title = {Materials Data on YbMoClO4 by Materials Project},
abstractNote = {YbMoO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Yb–O bond distances ranging from 2.26–2.53 Å. The Yb–Cl bond length is 3.13 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.78–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. Cl1- is bonded in a 2-coordinate geometry to one Yb3+ and one Cl1- atom. The Cl–Cl bond length is 1.99 Å.},
doi = {10.17188/1738372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}