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Title: Materials Data on Li4ZrGe2 by Materials Project

Abstract

ZrLi4Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to three equivalent Li and three equivalent Ge atoms. All Li–Li bond lengths are 2.58 Å. All Li–Ge bond lengths are 2.66 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li, three equivalent Zr, and four equivalent Ge atoms. All Li–Zr bond lengths are 3.15 Å. There are one shorter (2.67 Å) and three longer (2.71 Å) Li–Ge bond lengths. Zr is bonded in a distorted linear geometry to six equivalent Li and two equivalent Ge atoms. Both Zr–Ge bond lengths are 2.67 Å. Ge is bonded to seven Li and one Zr atom to form a mixture of distorted corner and edge-sharing GeLi7Zr hexagonal bipyramids.

Publication Date:
Other Number(s):
mp-31082
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; Li4ZrGe2; Ge-Li-Zr
OSTI Identifier:
1205409
DOI:
10.17188/1205409

Citation Formats

The Materials Project. Materials Data on Li4ZrGe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205409.
The Materials Project. Materials Data on Li4ZrGe2 by Materials Project. United States. doi:10.17188/1205409.
The Materials Project. 2020. "Materials Data on Li4ZrGe2 by Materials Project". United States. doi:10.17188/1205409. https://www.osti.gov/servlets/purl/1205409. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205409,
title = {Materials Data on Li4ZrGe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrLi4Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to three equivalent Li and three equivalent Ge atoms. All Li–Li bond lengths are 2.58 Å. All Li–Ge bond lengths are 2.66 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to three equivalent Li, three equivalent Zr, and four equivalent Ge atoms. All Li–Zr bond lengths are 3.15 Å. There are one shorter (2.67 Å) and three longer (2.71 Å) Li–Ge bond lengths. Zr is bonded in a distorted linear geometry to six equivalent Li and two equivalent Ge atoms. Both Zr–Ge bond lengths are 2.67 Å. Ge is bonded to seven Li and one Zr atom to form a mixture of distorted corner and edge-sharing GeLi7Zr hexagonal bipyramids.},
doi = {10.17188/1205409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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