U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2WO6 by Materials Project
Abstract
Yb2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with three equivalent WO6 octahedra, edges with two equivalent WO6 octahedra, and an edgeedge with one YbO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 40–60°. There are a spread of Yb–O bond distances ranging from 2.28–2.53 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.49 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.58 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with three equivalent YbO7 pentagonal bipyramids and edges with two equivalent YbO7 pentagonal bipyramids. There are a spread of W–O bond distances ranging from 1.85–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom.more »
- Publication Date:
- Other Number(s):
- mp-540857
- 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; O-W-Yb; Yb2WO6; crystal structure
- OSTI Identifier:
- 1264839
- DOI:
- https://doi.org/10.17188/1264839
Citation Formats
Materials Data on Yb2WO6 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1264839.
Materials Data on Yb2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1264839
2017.
"Materials Data on Yb2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1264839. https://www.osti.gov/servlets/purl/1264839. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1264839,
title = {Materials Data on Yb2WO6 by Materials Project},
abstractNote = {Yb2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share corners with three equivalent WO6 octahedra, edges with two equivalent WO6 octahedra, and an edgeedge with one YbO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 40–60°. There are a spread of Yb–O bond distances ranging from 2.28–2.53 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.49 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.58 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with three equivalent YbO7 pentagonal bipyramids and edges with two equivalent YbO7 pentagonal bipyramids. There are a spread of W–O bond distances ranging from 1.85–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Yb3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Yb3+ and one W6+ atom to form distorted corner-sharing OYb3W tetrahedra. In the third O2- site, O2- is bonded to three Yb3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing OYb3W tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Yb3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Yb3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Yb3+ and one W6+ atom.},
doi = {10.17188/1264839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}