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Title: Materials Data on ZnAg3 by Materials Project

Abstract

Ag3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with fourteen equivalent AgZn4Ag8 cuboctahedra, edges with six equivalent ZnAg12 cuboctahedra, edges with twelve equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with sixteen equivalent AgZn4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.94 Å. There are two shorter (2.87 Å) and two longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with six equivalent ZnAg12 cuboctahedra, corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eighteen equivalent AgZn4Ag8 cuboctahedra, faces with eight equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.

Publication Date:
Other Number(s):
mp-1187952
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; ZnAg3; Ag-Zn
OSTI Identifier:
1684420
DOI:
https://doi.org/10.17188/1684420

Citation Formats

The Materials Project. Materials Data on ZnAg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684420.
The Materials Project. Materials Data on ZnAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1684420
The Materials Project. 2020. "Materials Data on ZnAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1684420. https://www.osti.gov/servlets/purl/1684420. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684420,
title = {Materials Data on ZnAg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with fourteen equivalent AgZn4Ag8 cuboctahedra, edges with six equivalent ZnAg12 cuboctahedra, edges with twelve equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with sixteen equivalent AgZn4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.94 Å. There are two shorter (2.87 Å) and two longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with six equivalent ZnAg12 cuboctahedra, corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eighteen equivalent AgZn4Ag8 cuboctahedra, faces with eight equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.},
doi = {10.17188/1684420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}