Materials Data on Ag2WO4 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1672614
- Report Number(s):
- mp-1204999
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Ag2WO4 by Materials Project
Materials Data on Ag2WO4 by Materials Project