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Title: Materials Data on BaGe6 by Materials Project

Abstract

BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.

Authors:
Publication Date:
Other Number(s):
mp-1103747
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaGe6; Ba-Ge
OSTI Identifier:
1748602
DOI:
https://doi.org/10.17188/1748602

Citation Formats

The Materials Project. Materials Data on BaGe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748602.
The Materials Project. Materials Data on BaGe6 by Materials Project. United States. doi:https://doi.org/10.17188/1748602
The Materials Project. 2020. "Materials Data on BaGe6 by Materials Project". United States. doi:https://doi.org/10.17188/1748602. https://www.osti.gov/servlets/purl/1748602. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1748602,
title = {Materials Data on BaGe6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.},
doi = {10.17188/1748602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}