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Title: Materials Data on ErGe3 by Materials Project

Abstract

ErGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.24 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.81 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-513
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; ErGe3; Er-Ge
OSTI Identifier:
1263094
DOI:
10.17188/1263094

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263094.
Persson, Kristin, & Project, Materials. Materials Data on ErGe3 by Materials Project. United States. doi:10.17188/1263094.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErGe3 by Materials Project". United States. doi:10.17188/1263094. https://www.osti.gov/servlets/purl/1263094. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263094,
title = {Materials Data on ErGe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.24 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.81 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å.},
doi = {10.17188/1263094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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