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Title: Materials Data on Ag3Sb by Materials Project

Abstract

Ag3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent Sb3- atoms to form AgAg8Sb4 cuboctahedra that share corners with eight equivalent SbAg12 cuboctahedra, corners with ten AgAg8Sb4 cuboctahedra, edges with eighteen AgAg8Sb4 cuboctahedra, faces with six equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sb4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.99–3.12 Å. There are two shorter (3.04 Å) and two longer (3.06 Å) Ag–Sb bond lengths. In the second Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent Sb3- atoms to form AgAg8Sb4 cuboctahedra that share corners with four equivalent SbAg12 cuboctahedra, corners with fourteen AgAg8Sb4 cuboctahedra, edges with six equivalent SbAg12 cuboctahedra, edges with twelve AgAg8Sb4 cuboctahedra, faces with four equivalent SbAg12 cuboctahedra, and faces with sixteen AgAg8Sb4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.98–3.07 Å. There are a spread of Ag–Sb bond distances ranging from 3.01–3.13 Å. Sb3- is bonded to twelve Ag1+ atoms to form SbAg12 cuboctahedra that share corners with two equivalent SbAg12 cuboctahedra, cornersmore » with sixteen AgAg8Sb4 cuboctahedra, edges with six equivalent SbAg12 cuboctahedra, edges with twelve equivalent AgAg8Sb4 cuboctahedra, faces with six equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sb4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-16240
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; Ag3Sb; Ag-Sb
OSTI Identifier:
1191691
DOI:
https://doi.org/10.17188/1191691

Citation Formats

The Materials Project. Materials Data on Ag3Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191691.
The Materials Project. Materials Data on Ag3Sb by Materials Project. United States. doi:https://doi.org/10.17188/1191691
The Materials Project. 2020. "Materials Data on Ag3Sb by Materials Project". United States. doi:https://doi.org/10.17188/1191691. https://www.osti.gov/servlets/purl/1191691. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1191691,
title = {Materials Data on Ag3Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent Sb3- atoms to form AgAg8Sb4 cuboctahedra that share corners with eight equivalent SbAg12 cuboctahedra, corners with ten AgAg8Sb4 cuboctahedra, edges with eighteen AgAg8Sb4 cuboctahedra, faces with six equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sb4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.99–3.12 Å. There are two shorter (3.04 Å) and two longer (3.06 Å) Ag–Sb bond lengths. In the second Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent Sb3- atoms to form AgAg8Sb4 cuboctahedra that share corners with four equivalent SbAg12 cuboctahedra, corners with fourteen AgAg8Sb4 cuboctahedra, edges with six equivalent SbAg12 cuboctahedra, edges with twelve AgAg8Sb4 cuboctahedra, faces with four equivalent SbAg12 cuboctahedra, and faces with sixteen AgAg8Sb4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.98–3.07 Å. There are a spread of Ag–Sb bond distances ranging from 3.01–3.13 Å. Sb3- is bonded to twelve Ag1+ atoms to form SbAg12 cuboctahedra that share corners with two equivalent SbAg12 cuboctahedra, corners with sixteen AgAg8Sb4 cuboctahedra, edges with six equivalent SbAg12 cuboctahedra, edges with twelve equivalent AgAg8Sb4 cuboctahedra, faces with six equivalent SbAg12 cuboctahedra, and faces with fourteen AgAg8Sb4 cuboctahedra.},
doi = {10.17188/1191691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}