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:
- Publication Date:
- Other Number(s):
- mp-35906
- 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; Y(AgCl2)3; Ag-Cl-Y
- OSTI Identifier:
- 1207096
- DOI:
- https://doi.org/10.17188/1207096
Citation Formats
The Materials Project. Materials Data on Y(AgCl2)3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1207096.
The Materials Project. Materials Data on Y(AgCl2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1207096
The Materials Project. 2017.
"Materials Data on Y(AgCl2)3 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}