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Title: Materials Data on Ge3Au by Materials Project

Abstract

AuGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve Ge atoms to form AuGe12 cuboctahedra that share corners with four equivalent AuGe12 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with sixteen equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with eight equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.07 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Au and eight Ge atoms to form distorted GeGe8Au4 cuboctahedra that share corners with twelve equivalent GeGe8Au4 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with eight equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with ten equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and four longer (3.07 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Au and eight equivalent Ge atoms.

Publication Date:
Other Number(s):
mp-1184646
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; Ge3Au; Au-Ge
OSTI Identifier:
1744770
DOI:
https://doi.org/10.17188/1744770

Citation Formats

The Materials Project. Materials Data on Ge3Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744770.
The Materials Project. Materials Data on Ge3Au by Materials Project. United States. doi:https://doi.org/10.17188/1744770
The Materials Project. 2020. "Materials Data on Ge3Au by Materials Project". United States. doi:https://doi.org/10.17188/1744770. https://www.osti.gov/servlets/purl/1744770. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744770,
title = {Materials Data on Ge3Au by Materials Project},
author = {The Materials Project},
abstractNote = {AuGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve Ge atoms to form AuGe12 cuboctahedra that share corners with four equivalent AuGe12 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with sixteen equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with eight equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.07 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Au and eight Ge atoms to form distorted GeGe8Au4 cuboctahedra that share corners with twelve equivalent GeGe8Au4 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with eight equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with ten equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and four longer (3.07 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Au and eight equivalent Ge atoms.},
doi = {10.17188/1744770},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}