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Title: Materials Data on Er5Ge4 by Materials Project

Abstract

Er5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.83–3.02 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.44 Å. In the third Er site, Er is bonded to six Ge atoms to form corner-sharing ErGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Er–Ge bond distances ranging from 2.90–3.12 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom.

Authors:
Publication Date:
Other Number(s):
mp-1195860
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; Er5Ge4; Er-Ge
OSTI Identifier:
1686978
DOI:
https://doi.org/10.17188/1686978

Citation Formats

The Materials Project. Materials Data on Er5Ge4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686978.
The Materials Project. Materials Data on Er5Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1686978
The Materials Project. 2020. "Materials Data on Er5Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1686978. https://www.osti.gov/servlets/purl/1686978. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1686978,
title = {Materials Data on Er5Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.83–3.02 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.44 Å. In the third Er site, Er is bonded to six Ge atoms to form corner-sharing ErGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Er–Ge bond distances ranging from 2.90–3.12 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Er and one Ge atom.},
doi = {10.17188/1686978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}