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Title: Materials Data on Yb7In(NiGe3)4 by Materials Project

Abstract

Yb7In(NiGe3)4 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 11-coordinate geometry to two equivalent Ni, two equivalent In, and seven Ge atoms. Both Yb–Ni bond lengths are 3.06 Å. Both Yb–In bond lengths are 3.36 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.12 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ge atoms. All Yb–Ni bond lengths are 3.13 Å. There are eight shorter (2.98 Å) and four longer (3.19 Å) Yb–Ge bond lengths. In the third Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.36 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.31 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.45 Å. In is bonded to eight equivalent Yb and four equivalent Ge atoms to form face-sharing InYb8Ge4 cuboctahedra. All In–Ge bond lengths are 3.00 Å. There are threemore » inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Yb, two equivalent Ni, and three Ge atoms. Both Ge–Ge bond lengths are 2.99 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four Yb, two equivalent Ni, and four Ge atoms. Both Ge–Ge bond lengths are 2.93 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1190414
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; Yb7In(NiGe3)4; Ge-In-Ni-Yb
OSTI Identifier:
1672241
DOI:
10.17188/1672241

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb7In(NiGe3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672241.
Persson, Kristin, & Project, Materials. Materials Data on Yb7In(NiGe3)4 by Materials Project. United States. doi:10.17188/1672241.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb7In(NiGe3)4 by Materials Project". United States. doi:10.17188/1672241. https://www.osti.gov/servlets/purl/1672241. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672241,
title = {Materials Data on Yb7In(NiGe3)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb7In(NiGe3)4 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 11-coordinate geometry to two equivalent Ni, two equivalent In, and seven Ge atoms. Both Yb–Ni bond lengths are 3.06 Å. Both Yb–In bond lengths are 3.36 Å. There are a spread of Yb–Ge bond distances ranging from 2.98–3.12 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ge atoms. All Yb–Ni bond lengths are 3.13 Å. There are eight shorter (2.98 Å) and four longer (3.19 Å) Yb–Ge bond lengths. In the third Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Yb–Ni bond lengths are 3.36 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.31 Å. Ni is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.45 Å. In is bonded to eight equivalent Yb and four equivalent Ge atoms to form face-sharing InYb8Ge4 cuboctahedra. All In–Ge bond lengths are 3.00 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Yb, two equivalent Ni, and three Ge atoms. Both Ge–Ge bond lengths are 2.99 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four Yb, two equivalent Ni, and four Ge atoms. Both Ge–Ge bond lengths are 2.93 Å.},
doi = {10.17188/1672241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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