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Title: Materials Data on NdGe2Ir by Materials Project

Abstract

NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, threemore » equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.78 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542593
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; NdGe2Ir; Ge-Ir-Nd
OSTI Identifier:
1266587
DOI:
10.17188/1266587

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdGe2Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266587.
Persson, Kristin, & Project, Materials. Materials Data on NdGe2Ir by Materials Project. United States. doi:10.17188/1266587.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdGe2Ir by Materials Project". United States. doi:10.17188/1266587. https://www.osti.gov/servlets/purl/1266587. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1266587,
title = {Materials Data on NdGe2Ir by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.78 Å.},
doi = {10.17188/1266587},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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