U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErWClO4 by Materials Project
Abstract
ErWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.69 Å. There are one shorter (2.71 Å) and one longer (2.74 Å) Er–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1103556
- 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-Er-O-W; crystal structure; ErWClO4
- OSTI Identifier:
- 1706896
- DOI:
- https://doi.org/10.17188/1706896
Citation Formats
Materials Data on ErWClO4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1706896.
Materials Data on ErWClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1706896
2018.
"Materials Data on ErWClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1706896. https://www.osti.gov/servlets/purl/1706896. Pub date:Tue Jul 17 20:00:00 EDT 2018
@article{osti_1706896,
title = {Materials Data on ErWClO4 by Materials Project},
abstractNote = {ErWO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.69 Å. There are one shorter (2.71 Å) and one longer (2.74 Å) Er–Cl bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.80–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Er3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one W6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms.},
doi = {10.17188/1706896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}