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Title: Materials Data on Ag3Au by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1667174· OSTI ID:1667174

AuAg3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with six equivalent AuAg12 cuboctahedra, corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eighteen equivalent AgAg8Au4 cuboctahedra, faces with eight equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Au–Ag bond lengths. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with four equivalent AuAg12 cuboctahedra, corners with fourteen equivalent AgAg8Au4 cuboctahedra, edges with six equivalent AuAg12 cuboctahedra, edges with twelve equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Au4 cuboctahedra. There are two shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1667174
Report Number(s):
mp-1183205
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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