U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2LiGe3 by Materials Project
Abstract
LiBa2Ge3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to six Ba and three Ge atoms. There are four shorter (3.58 Å) and two longer (3.60 Å) Li–Ba bond lengths. There are one shorter (2.62 Å) and two longer (2.65 Å) Li–Ge bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Li and eight Ge atoms to form a mixture of distorted edge and face-sharing BaLi4Ge8 cuboctahedra. There are a spread of Ba–Ge bond distances ranging from 3.53–3.63 Å. In the second Ba site, Ba is bonded to two equivalent Li and ten Ge atoms to form a mixture of distorted edge and face-sharing BaLi2Ge10 cuboctahedra. There are a spread of Ba–Ge bond distances ranging from 3.45–3.69 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Ba atoms. In the second Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Ba atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17491
- 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; Ba2LiGe3; Ba-Ge-Li
- OSTI Identifier:
- 1192535
- DOI:
- https://doi.org/10.17188/1192535
Citation Formats
The Materials Project. Materials Data on Ba2LiGe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192535.
The Materials Project. Materials Data on Ba2LiGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1192535
The Materials Project. 2020.
"Materials Data on Ba2LiGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1192535. https://www.osti.gov/servlets/purl/1192535. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1192535,
title = {Materials Data on Ba2LiGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBa2Ge3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to six Ba and three Ge atoms. There are four shorter (3.58 Å) and two longer (3.60 Å) Li–Ba bond lengths. There are one shorter (2.62 Å) and two longer (2.65 Å) Li–Ge bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Li and eight Ge atoms to form a mixture of distorted edge and face-sharing BaLi4Ge8 cuboctahedra. There are a spread of Ba–Ge bond distances ranging from 3.53–3.63 Å. In the second Ba site, Ba is bonded to two equivalent Li and ten Ge atoms to form a mixture of distorted edge and face-sharing BaLi2Ge10 cuboctahedra. There are a spread of Ba–Ge bond distances ranging from 3.45–3.69 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Ba atoms. In the second Ge site, Ge is bonded in a distorted single-bond geometry to one Li and six Ba atoms.},
doi = {10.17188/1192535},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}