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Title: Materials Data on LiCa2Ge3 by Materials Project

Abstract

LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.68–2.84 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.95–3.18 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ca, and two Ge atoms. The Ge–Ge bond length is 2.61 Å.

Authors:
Publication Date:
Other Number(s):
mp-504670
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; LiCa2Ge3; Ca-Ge-Li
OSTI Identifier:
1261901
DOI:
https://doi.org/10.17188/1261901

Citation Formats

The Materials Project. Materials Data on LiCa2Ge3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261901.
The Materials Project. Materials Data on LiCa2Ge3 by Materials Project. United States. doi:https://doi.org/10.17188/1261901
The Materials Project. 2020. "Materials Data on LiCa2Ge3 by Materials Project". United States. doi:https://doi.org/10.17188/1261901. https://www.osti.gov/servlets/purl/1261901. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1261901,
title = {Materials Data on LiCa2Ge3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.68–2.84 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.95–3.18 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ca, and two Ge atoms. The Ge–Ge bond length is 2.61 Å.},
doi = {10.17188/1261901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}