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 monoclinic Pm space group. The structure is three-dimensional. there are three 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 2.52 Å. There are one shorter (2.94 Å) and one longer (3.20 Å) Ag–Br bond lengths. 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 (2.55 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.11 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.10 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.

Publication Date:
Other Number(s):
mp-1229116
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:
1706973
DOI:
https://doi.org/10.17188/1706973

Citation Formats

The Materials Project. Materials Data on Ag3SBr by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1706973.
The Materials Project. Materials Data on Ag3SBr by Materials Project. United States. doi:https://doi.org/10.17188/1706973
The Materials Project. 2019. "Materials Data on Ag3SBr by Materials Project". United States. doi:https://doi.org/10.17188/1706973. https://www.osti.gov/servlets/purl/1706973. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1706973,
title = {Materials Data on Ag3SBr by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SBr crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three 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 2.52 Å. There are one shorter (2.94 Å) and one longer (3.20 Å) Ag–Br bond lengths. 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 (2.55 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.11 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Br1- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Ag–S bond lengths. Both Ag–Br bond lengths are 3.10 Å. S2- is bonded to six Ag1+ atoms to form distorted corner-sharing SAg6 pentagonal pyramids. Br1- is bonded in a 6-coordinate geometry to six Ag1+ atoms.},
doi = {10.17188/1706973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}