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Title: Materials Data on AlGe3 by Materials Project

Abstract

AlGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Al is bonded to twelve Ge atoms to form AlGe12 cuboctahedra that share corners with four equivalent AlGe12 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with sixteen equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with eight equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and eight longer (3.05 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Al and eight Ge atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent GeAl4Ge8 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with eight equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with ten equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.05 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Al and eight equivalent Ge atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183203
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlGe3; Al-Ge
OSTI Identifier:
1746279
DOI:
https://doi.org/10.17188/1746279

Citation Formats

The Materials Project. Materials Data on AlGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746279.
The Materials Project. Materials Data on AlGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1746279
The Materials Project. 2020. "Materials Data on AlGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1746279. https://www.osti.gov/servlets/purl/1746279. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746279,
title = {Materials Data on AlGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Al is bonded to twelve Ge atoms to form AlGe12 cuboctahedra that share corners with four equivalent AlGe12 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with sixteen equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with eight equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and eight longer (3.05 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Al and eight Ge atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent GeAl4Ge8 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with eight equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with ten equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.05 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Al and eight equivalent Ge atoms.},
doi = {10.17188/1746279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}