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Title: Materials Data on Ba4Ni3Ge20 by Materials Project

Abstract

Ba4Ni3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted body-centered cubic geometry to twenty Ge atoms. There are eight shorter (3.41 Å) and twelve longer (3.72 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.56 Å. Ni is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.50 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Ni, and two equivalent Ge atoms.

Publication Date:
Other Number(s):
mp-30169
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; Ba4Ni3Ge20; Ba-Ge-Ni
OSTI Identifier:
1204585
DOI:
https://doi.org/10.17188/1204585

Citation Formats

The Materials Project. Materials Data on Ba4Ni3Ge20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204585.
The Materials Project. Materials Data on Ba4Ni3Ge20 by Materials Project. United States. doi:https://doi.org/10.17188/1204585
The Materials Project. 2020. "Materials Data on Ba4Ni3Ge20 by Materials Project". United States. doi:https://doi.org/10.17188/1204585. https://www.osti.gov/servlets/purl/1204585. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1204585,
title = {Materials Data on Ba4Ni3Ge20 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4Ni3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted body-centered cubic geometry to twenty Ge atoms. There are eight shorter (3.41 Å) and twelve longer (3.72 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.56 Å. Ni is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.50 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Ni, and two equivalent Ge atoms.},
doi = {10.17188/1204585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}