U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2WO4 by Materials Project
Abstract
Ag2WO4 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.92–2.21 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.16 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.84–2.18 Å. There are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–3.08 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–3.09 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204999
- 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; Ag2WO4; Ag-O-W
- OSTI Identifier:
- 1672614
- DOI:
- https://doi.org/10.17188/1672614
Citation Formats
The Materials Project. Materials Data on Ag2WO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672614.
The Materials Project. Materials Data on Ag2WO4 by Materials Project. United States. doi:https://doi.org/10.17188/1672614
The Materials Project. 2019.
"Materials Data on Ag2WO4 by Materials Project". United States. doi:https://doi.org/10.17188/1672614. https://www.osti.gov/servlets/purl/1672614. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672614,
title = {Materials Data on Ag2WO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2WO4 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.92–2.21 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.83–2.16 Å. In the third W6+ site, W6+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.84–2.18 Å. There are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–3.08 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–3.09 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.87 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.80 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.42–2.72 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.72 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one W6+ and three Ag1+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one W6+ and three Ag1+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and five Ag1+ atoms. In the fourth O2- site, O2- is bonded to three W6+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OAgW3 tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one W6+, three Ag1+, and one O2- atom. The O–O bond length is 1.60 Å. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one W6+, three Ag1+, and one O2- atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to two W6+ and three Ag1+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two W6+ and three Ag1+ atoms.},
doi = {10.17188/1672614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}