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Title: Materials Data on YAg(WO4)2 by Materials Project

Abstract

AgY(WO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 36–60°. There are a spread of Y–O bond distances ranging from 2.27–2.37 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent YO6 octahedra, corners with four equivalent AgO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–61°. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of Ag–O bond distances ranging from 2.34–2.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometrymore » to two equivalent W6+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent W6+ atoms.« less

Publication Date:
Other Number(s):
mvc-653
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YAg(WO4)2; Ag-O-W-Y
OSTI Identifier:
1322118
DOI:
10.17188/1322118

Citation Formats

The Materials Project. Materials Data on YAg(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1322118.
The Materials Project. Materials Data on YAg(WO4)2 by Materials Project. United States. doi:10.17188/1322118.
The Materials Project. 2020. "Materials Data on YAg(WO4)2 by Materials Project". United States. doi:10.17188/1322118. https://www.osti.gov/servlets/purl/1322118. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1322118,
title = {Materials Data on YAg(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgY(WO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 36–60°. There are a spread of Y–O bond distances ranging from 2.27–2.37 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent YO6 octahedra, corners with four equivalent AgO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–61°. There are a spread of W–O bond distances ranging from 1.83–2.18 Å. Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are a spread of Ag–O bond distances ranging from 2.34–2.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one W6+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one W6+, and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent W6+ atoms.},
doi = {10.17188/1322118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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