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Title: Materials Data on Li2(LuGe)3 by Materials Project

Abstract

Li2(LuGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Lu and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing LiLu4Ge4 tetrahedra. There are a spread of Li–Lu bond distances ranging from 3.16–3.30 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.68 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.88–3.42 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.97–3.09 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Lu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3440
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; Li2(LuGe)3; Ge-Li-Lu
OSTI Identifier:
1206817
DOI:
10.17188/1206817

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2(LuGe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206817.
Persson, Kristin, & Project, Materials. Materials Data on Li2(LuGe)3 by Materials Project. United States. doi:10.17188/1206817.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2(LuGe)3 by Materials Project". United States. doi:10.17188/1206817. https://www.osti.gov/servlets/purl/1206817. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1206817,
title = {Materials Data on Li2(LuGe)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2(LuGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Lu and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing LiLu4Ge4 tetrahedra. There are a spread of Li–Lu bond distances ranging from 3.16–3.30 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.68 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.88–3.42 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.97–3.09 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Lu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.},
doi = {10.17188/1206817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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