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Title: Materials Data on Ba7Ge6 by Materials Project

Abstract

Ba7Ge6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.53 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.52–4.08 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.81 Å. In the fourth Ba site, Ba is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.29–3.90 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Ba 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 geometrymore » to eight Ba and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven Ba and two Ge atoms. The Ge–Ge bond length is 2.60 Å.« less

Publication Date:
Other Number(s):
mp-1204965
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; Ba7Ge6; Ba-Ge
OSTI Identifier:
1744068
DOI:
https://doi.org/10.17188/1744068

Citation Formats

The Materials Project. Materials Data on Ba7Ge6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744068.
The Materials Project. Materials Data on Ba7Ge6 by Materials Project. United States. doi:https://doi.org/10.17188/1744068
The Materials Project. 2020. "Materials Data on Ba7Ge6 by Materials Project". United States. doi:https://doi.org/10.17188/1744068. https://www.osti.gov/servlets/purl/1744068. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744068,
title = {Materials Data on Ba7Ge6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba7Ge6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.53 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.52–4.08 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.81 Å. In the fourth Ba site, Ba is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.29–3.90 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Ba 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 eight Ba and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven Ba and two Ge atoms. The Ge–Ge bond length is 2.60 Å.},
doi = {10.17188/1744068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}