Title: Materials Data on LiCaGe2 by Materials Project

Abstract

LiCaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.63–2.79 Å. Ca is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.11–3.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ca, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.51 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ca, and two equivalent Ge atoms.

Publication Date:
Other Number(s):
mp-13917
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-Ge-Li; crystal structure; LiCaGe2
OSTI Identifier:
1189810
DOI:
https://doi.org/10.17188/1189810

Citation Formats

Materials Data on LiCaGe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189810.
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Materials Data on LiCaGe2 by Materials Project. United States. doi:https://doi.org/10.17188/1189810
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2020. "Materials Data on LiCaGe2 by Materials Project". United States. doi:https://doi.org/10.17188/1189810. https://www.osti.gov/servlets/purl/1189810. Pub date:Fri Jul 17 20:00:00 EDT 2020
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@article{osti_1189810,
title = {Materials Data on LiCaGe2 by Materials Project},
abstractNote = {LiCaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.63–2.79 Å. Ca is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.11–3.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ca, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.51 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ca, and two equivalent Ge atoms.},
doi = {10.17188/1189810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1189810
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