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Title: Materials Data on Ag3SI by Materials Project

Abstract

Ag3SI is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted linear geometry to two equivalent S2- and four equivalent I1- atoms. Both Ag–S bond lengths are 2.50 Å. All Ag–I bond lengths are 3.54 Å. S2- is bonded to six equivalent Ag1+ atoms to form SAg6 octahedra that share corners with six equivalent SAg6 octahedra and faces with eight equivalent IAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded to twelve equivalent Ag1+ atoms to form IAg12 cuboctahedra that share corners with twelve equivalent IAg12 cuboctahedra, faces with six equivalent IAg12 cuboctahedra, and faces with eight equivalent SAg6 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558189
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; Ag3SI; Ag-I-S
OSTI Identifier:
1270210
DOI:
10.17188/1270210

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag3SI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270210.
Persson, Kristin, & Project, Materials. Materials Data on Ag3SI by Materials Project. United States. doi:10.17188/1270210.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag3SI by Materials Project". United States. doi:10.17188/1270210. https://www.osti.gov/servlets/purl/1270210. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1270210,
title = {Materials Data on Ag3SI by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag3SI is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted linear geometry to two equivalent S2- and four equivalent I1- atoms. Both Ag–S bond lengths are 2.50 Å. All Ag–I bond lengths are 3.54 Å. S2- is bonded to six equivalent Ag1+ atoms to form SAg6 octahedra that share corners with six equivalent SAg6 octahedra and faces with eight equivalent IAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded to twelve equivalent Ag1+ atoms to form IAg12 cuboctahedra that share corners with twelve equivalent IAg12 cuboctahedra, faces with six equivalent IAg12 cuboctahedra, and faces with eight equivalent SAg6 octahedra.},
doi = {10.17188/1270210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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