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Title: Materials Data on Er(AlGe)2 by Materials Project

Abstract

Al2ErGe2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded to six equivalent Ge atoms to form distorted ErGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent ErGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Er–Ge bond lengths are 2.98 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent ErGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent ErGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–56°. There are three shorter (2.55 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Er and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeEr3Al4 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-13069
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; Er(AlGe)2; Al-Er-Ge
OSTI Identifier:
1189364
DOI:
https://doi.org/10.17188/1189364

Citation Formats

The Materials Project. Materials Data on Er(AlGe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189364.
The Materials Project. Materials Data on Er(AlGe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189364
The Materials Project. 2020. "Materials Data on Er(AlGe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189364. https://www.osti.gov/servlets/purl/1189364. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189364,
title = {Materials Data on Er(AlGe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2ErGe2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded to six equivalent Ge atoms to form distorted ErGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent ErGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Er–Ge bond lengths are 2.98 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent ErGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent ErGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–56°. There are three shorter (2.55 Å) and one longer (2.57 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Er and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeEr3Al4 pentagonal bipyramids.},
doi = {10.17188/1189364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}