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Title: Materials Data on Li11Ge6 by Materials Project

Abstract

Li11Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to seven Li and four Ge atoms. There are a spread of Li–Li bond distances ranging from 2.56–2.91 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to two Li and five Ge atoms. The Li–Li bond length is 2.97 Å. There are a spread of Li–Ge bond distances ranging from 2.62–3.00 Å. In the third Li site, Li is bonded in a 10-coordinate geometry to five Li and ten Ge atoms. There are two shorter (2.89 Å) and one longer (2.92 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 3.00–3.09 Å. In the fourth Li site, Li is bonded in a 12-coordinate geometry to one Li and five Ge atoms. There are one shorter (2.65 Å) and four longer (2.78 Å) Li–Ge bond lengths. In the fifth Li site, Li is bonded in a distorted water-like geometry to four equivalent Li and two equivalent Ge atoms. Bothmore » Li–Ge bond lengths are 2.61 Å. In the sixth Li site, Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are a spread of Li–Ge bond distances ranging from 2.76–2.84 Å. In the seventh Li site, Li is bonded in a 3-coordinate geometry to four Li and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eleven Li atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 11-coordinate geometry to nine Li and two Ge atoms. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.46 Å.« less

Publication Date:
Other Number(s):
mp-29631
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; Li11Ge6; Ge-Li
OSTI Identifier:
1204119
DOI:
10.17188/1204119

Citation Formats

The Materials Project. Materials Data on Li11Ge6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204119.
The Materials Project. Materials Data on Li11Ge6 by Materials Project. United States. doi:10.17188/1204119.
The Materials Project. 2020. "Materials Data on Li11Ge6 by Materials Project". United States. doi:10.17188/1204119. https://www.osti.gov/servlets/purl/1204119. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1204119,
title = {Materials Data on Li11Ge6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li11Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to seven Li and four Ge atoms. There are a spread of Li–Li bond distances ranging from 2.56–2.91 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. In the second Li site, Li is bonded in a 3-coordinate geometry to two Li and five Ge atoms. The Li–Li bond length is 2.97 Å. There are a spread of Li–Ge bond distances ranging from 2.62–3.00 Å. In the third Li site, Li is bonded in a 10-coordinate geometry to five Li and ten Ge atoms. There are two shorter (2.89 Å) and one longer (2.92 Å) Li–Li bond lengths. There are a spread of Li–Ge bond distances ranging from 3.00–3.09 Å. In the fourth Li site, Li is bonded in a 12-coordinate geometry to one Li and five Ge atoms. There are one shorter (2.65 Å) and four longer (2.78 Å) Li–Ge bond lengths. In the fifth Li site, Li is bonded in a distorted water-like geometry to four equivalent Li and two equivalent Ge atoms. Both Li–Ge bond lengths are 2.61 Å. In the sixth Li site, Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are a spread of Li–Ge bond distances ranging from 2.76–2.84 Å. In the seventh Li site, Li is bonded in a 3-coordinate geometry to four Li and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.67–2.84 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to eleven Li atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 11-coordinate geometry to nine Li and two Ge atoms. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.46 Å.},
doi = {10.17188/1204119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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