skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ag3SBr by Materials Project

Abstract

Ag3SBr crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.49 Å. Both Ag–Br bond lengths are 3.09 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.53 Å) and one longer (2.58 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.03 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.11 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.01 Å. S2- is bonded to six Ag1+ atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36600
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; Ag3SBr; Ag-Br-S
OSTI Identifier:
1207206
DOI:
10.17188/1207206

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ag3SBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207206.
Persson, Kristin, & Project, Materials. Materials Data on Ag3SBr by Materials Project. United States. doi:10.17188/1207206.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ag3SBr by Materials Project". United States. doi:10.17188/1207206. https://www.osti.gov/servlets/purl/1207206. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207206,
title = {Materials Data on Ag3SBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag3SBr crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.49 Å. Both Ag–Br bond lengths are 3.09 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.53 Å) and one longer (2.58 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.03 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.11 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted tetrahedral geometry to two equivalent S2- and two equivalent Br1- atoms. Both Ag–S bond lengths are 2.52 Å. Both Ag–Br bond lengths are 3.01 Å. S2- is bonded to six Ag1+ atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.},
doi = {10.17188/1207206},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: