U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(WO2)2 by Materials Project
Abstract
Y(WO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.52 Å. There are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) W–O bond lengths. In the second W+2.50+ site, W+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra.
- Publication Date:
- Other Number(s):
- mvc-4645
- 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; crystal structure; O-W-Y; Y(WO2)2
- OSTI Identifier:
- 1321100
- DOI:
- https://doi.org/10.17188/1321100
Citation Formats
Materials Data on Y(WO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321100.
Materials Data on Y(WO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1321100
2020.
"Materials Data on Y(WO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1321100. https://www.osti.gov/servlets/purl/1321100. Pub date:Sun Jul 19 20:00:00 EDT 2020
@article{osti_1321100,
title = {Materials Data on Y(WO2)2 by Materials Project},
abstractNote = {Y(WO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.52 Å. There are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) W–O bond lengths. In the second W+2.50+ site, W+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra.},
doi = {10.17188/1321100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}