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Title: Materials Data on Ba3(Ge2C)2 by Materials Project

Abstract

Ba3Ge4C2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to two equivalent Ge and three equivalent C atoms to form a mixture of distorted edge and corner-sharing BaGe2C3 trigonal bipyramids. Both Ba–Ge bond lengths are 3.22 Å. There are a spread of Ba–C bond distances ranging from 2.85–3.03 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. There are four shorter (3.70 Å) and four longer (3.79 Å) Ba–Ge bond lengths. Ge is bonded in a 1-coordinate geometry to three Ba and three equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. C is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ba and one C atom. The C–C bond length is 1.27 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-675489
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; Ba3(Ge2C)2; Ba-C-Ge
OSTI Identifier:
1282723
DOI:
10.17188/1282723

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba3(Ge2C)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282723.
Persson, Kristin, & Project, Materials. Materials Data on Ba3(Ge2C)2 by Materials Project. United States. doi:10.17188/1282723.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba3(Ge2C)2 by Materials Project". United States. doi:10.17188/1282723. https://www.osti.gov/servlets/purl/1282723. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282723,
title = {Materials Data on Ba3(Ge2C)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba3Ge4C2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to two equivalent Ge and three equivalent C atoms to form a mixture of distorted edge and corner-sharing BaGe2C3 trigonal bipyramids. Both Ba–Ge bond lengths are 3.22 Å. There are a spread of Ba–C bond distances ranging from 2.85–3.03 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. There are four shorter (3.70 Å) and four longer (3.79 Å) Ba–Ge bond lengths. Ge is bonded in a 1-coordinate geometry to three Ba and three equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. C is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ba and one C atom. The C–C bond length is 1.27 Å.},
doi = {10.17188/1282723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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