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Title: Materials Data on Y(AgCl2)3 by Materials Project

Abstract

Y(AgCl2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Y–Cl bond lengths are 2.67 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (2.63 Å) and three longer (3.12 Å) Ag–Cl bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ag–Cl bond lengths are 2.79 Å. Cl1- is bonded to one Y3+ and three Ag1+ atoms to form a mixture of distorted corner and edge-sharing ClYAg3 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35906
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; Y(AgCl2)3; Ag-Cl-Y
OSTI Identifier:
1207096
DOI:
10.17188/1207096

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y(AgCl2)3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1207096.
Persson, Kristin, & Project, Materials. Materials Data on Y(AgCl2)3 by Materials Project. United States. doi:10.17188/1207096.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Y(AgCl2)3 by Materials Project". United States. doi:10.17188/1207096. https://www.osti.gov/servlets/purl/1207096. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1207096,
title = {Materials Data on Y(AgCl2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y(AgCl2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Y–Cl bond lengths are 2.67 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (2.63 Å) and three longer (3.12 Å) Ag–Cl bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ag–Cl bond lengths are 2.79 Å. Cl1- is bonded to one Y3+ and three Ag1+ atoms to form a mixture of distorted corner and edge-sharing ClYAg3 trigonal pyramids.},
doi = {10.17188/1207096},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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