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Title: Materials Data on Ag8S by Materials Project

Abstract

Ag8S crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 3.21–3.26 Å. In the second Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. There are two shorter (3.23 Å) and two longer (3.26 Å) Ag–Ag bond lengths. The Ag–S bond length is 2.30 Å. In the third Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.25 Å) Ag–Ag bond lengths. In the fourth Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. The Ag–S bond length is 2.31 Å. S is bonded to four Ag atoms tomore » form SAg4 tetrahedra that share edges with twelve AgAg12 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-28963
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; Ag8S; Ag-S
OSTI Identifier:
1203023
DOI:
https://doi.org/10.17188/1203023

Citation Formats

The Materials Project. Materials Data on Ag8S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203023.
The Materials Project. Materials Data on Ag8S by Materials Project. United States. doi:https://doi.org/10.17188/1203023
The Materials Project. 2020. "Materials Data on Ag8S by Materials Project". United States. doi:https://doi.org/10.17188/1203023. https://www.osti.gov/servlets/purl/1203023. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203023,
title = {Materials Data on Ag8S by Materials Project},
author = {The Materials Project},
abstractNote = {Ag8S crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 3.21–3.26 Å. In the second Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. There are two shorter (3.23 Å) and two longer (3.26 Å) Ag–Ag bond lengths. The Ag–S bond length is 2.30 Å. In the third Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.25 Å) Ag–Ag bond lengths. In the fourth Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. The Ag–S bond length is 2.31 Å. S is bonded to four Ag atoms to form SAg4 tetrahedra that share edges with twelve AgAg12 cuboctahedra.},
doi = {10.17188/1203023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}