U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2W2O7 by Materials Project
Abstract
Y2W2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.54 Å. In the second Y3+ site, Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six WO6 octahedra. There are a spread of Y–O bond distances ranging from 2.23–2.52 Å. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.57 Å. There are three inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of W–O bond distances ranging from 2.05–2.12 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. All W–O bond lengthsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3624
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Y2W2O7; O-W-Y
- OSTI Identifier:
- 1320638
- DOI:
- https://doi.org/10.17188/1320638
Citation Formats
The Materials Project. Materials Data on Y2W2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320638.
The Materials Project. Materials Data on Y2W2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1320638
The Materials Project. 2020.
"Materials Data on Y2W2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1320638. https://www.osti.gov/servlets/purl/1320638. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1320638,
title = {Materials Data on Y2W2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2W2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.54 Å. In the second Y3+ site, Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six WO6 octahedra. There are a spread of Y–O bond distances ranging from 2.23–2.52 Å. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.57 Å. There are three inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of W–O bond distances ranging from 2.05–2.12 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. All W–O bond lengths are 2.16 Å. In the third W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (2.00 Å) and four longer (2.02 Å) W–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with sixteen OY4 tetrahedra and edges with six OY2W2 tetrahedra. In the second O2- site, O2- is bonded to two Y3+ and two W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra. In the third O2- site, O2- is bonded to two Y3+ and two W4+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two Y3+ and two equivalent W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra.},
doi = {10.17188/1320638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}