U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2WO6 by Materials Project
Abstract
Er2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.43 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.30–2.49 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.52 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.89–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Er3+ and one W6+ atom to form distorted corner-sharing OEr3W tetrahedra. In the third O2- site, O2- is bonded to three Er3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OEr3W tetrahedra.more »
- Publication Date:
- Other Number(s):
- mp-25190
- 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-O-W; Er2WO6; crystal structure
- OSTI Identifier:
- 1200561
- DOI:
- https://doi.org/10.17188/1200561
Citation Formats
Materials Data on Er2WO6 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1200561.
Materials Data on Er2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1200561
2017.
"Materials Data on Er2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1200561. https://www.osti.gov/servlets/purl/1200561. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1200561,
title = {Materials Data on Er2WO6 by Materials Project},
abstractNote = {Er2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.43 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.30–2.49 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.52 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.89–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Er3+ and one W6+ atom to form distorted corner-sharing OEr3W tetrahedra. In the third O2- site, O2- is bonded to three Er3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OEr3W tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom.},
doi = {10.17188/1200561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}