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Title: Materials Data on BaGe5 by Materials Project

Abstract

BaGe5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to fifteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.77 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.65–2.70 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Ba and six Ge atoms. There are one shorter (2.62 Å) and two longer (2.91 Å) Ge–Ge bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1095284
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; BaGe5; Ba-Ge
OSTI Identifier:
1689754
DOI:
https://doi.org/10.17188/1689754

Citation Formats

The Materials Project. Materials Data on BaGe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689754.
The Materials Project. Materials Data on BaGe5 by Materials Project. United States. doi:https://doi.org/10.17188/1689754
The Materials Project. 2020. "Materials Data on BaGe5 by Materials Project". United States. doi:https://doi.org/10.17188/1689754. https://www.osti.gov/servlets/purl/1689754. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689754,
title = {Materials Data on BaGe5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaGe5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to fifteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.77 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.65–2.70 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Ba and six Ge atoms. There are one shorter (2.62 Å) and two longer (2.91 Å) Ge–Ge bond lengths.},
doi = {10.17188/1689754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}