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Title: Materials Data on ErNiGe2 by Materials Project

Abstract

ErNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.10 Å) and two longer (3.18 Å) Er–Ni bond lengths. There are a spread of Er–Ge bond distances ranging from 2.90–2.94 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Er–Ni bond lengths are 3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.16–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Er, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Gemore » is bonded in a 9-coordinate geometry to six Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.45 Å.« less

Publication Date:
Other Number(s):
mp-582572
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; ErNiGe2; Er-Ge-Ni
OSTI Identifier:
1276985
DOI:
https://doi.org/10.17188/1276985

Citation Formats

The Materials Project. Materials Data on ErNiGe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276985.
The Materials Project. Materials Data on ErNiGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1276985
The Materials Project. 2020. "Materials Data on ErNiGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1276985. https://www.osti.gov/servlets/purl/1276985. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276985,
title = {Materials Data on ErNiGe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.10 Å) and two longer (3.18 Å) Er–Ni bond lengths. There are a spread of Er–Ge bond distances ranging from 2.90–2.94 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Er–Ni bond lengths are 3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.16–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Er, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.45 Å.},
doi = {10.17188/1276985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}