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Title: Materials Data on Li12Ge7 by Materials Project

Abstract

Li12Ge7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are thirteen inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to one Li and five Ge atoms. The Li–Li bond length is 2.96 Å. There are a spread of Li–Ge bond distances ranging from 2.63–3.10 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to one Li and five Ge atoms. The Li–Li bond length is 2.87 Å. There are a spread of Li–Ge bond distances ranging from 2.73–2.87 Å. In the third Li site, Li is bonded in a 11-coordinate geometry to six Li and five Ge atoms. There are a spread of Li–Li bond distances ranging from 2.55–3.03 Å. There are a spread of Li–Ge bond distances ranging from 2.69–2.94 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to five Li and five Ge atoms. There are a spread of Li–Li bond distances ranging from 2.92–3.01 Å. There are a spread of Li–Ge bond distances ranging from 2.68–2.89 Å. In the fifth Li site, Li is bonded in a 3-coordinate geometry to one Li and five Ge atoms. Themore » Li–Li bond length is 2.83 Å. There are a spread of Li–Ge bond distances ranging from 2.65–2.89 Å. In the sixth Li site, Li is bonded in a 2-coordinate geometry to three Ge atoms. There are two shorter (2.62 Å) and one longer (3.00 Å) Li–Ge bond lengths. In the seventh Li site, Li is bonded in a 3-coordinate geometry to one Li and four Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.64–3.06 Å. In the eighth Li site, Li is bonded in a 2-coordinate geometry to five Li and ten Ge atoms. The Li–Li bond length is 2.87 Å. There are a spread of Li–Ge bond distances ranging from 2.93–3.25 Å. In the ninth Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Li and three Ge atoms. The Li–Li bond length is 2.86 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.89 Å. In the tenth Li site, Li is bonded in a 4-coordinate geometry to one Li and four Ge atoms. The Li–Li bond length is 2.60 Å. There are a spread of Li–Ge bond distances ranging from 2.66–2.87 Å. In the eleventh Li site, Li is bonded in a 11-coordinate geometry to six Li and five Ge atoms. The Li–Li bond length is 2.48 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.99 Å. In the twelfth Li site, Li is bonded in a 10-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.73–2.95 Å. In the thirteenth Li site, Li is bonded in a 5-coordinate geometry to one Li and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–2.85 Å. There are nine inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to ten Li and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to seven Li and three Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to nine Li and two Ge atoms. There are one shorter (2.51 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 11-coordinate geometry to ten Li and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 10-coordinate geometry to nine Li and one Ge atom. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the eighth Ge site, Ge is bonded in a 11-coordinate geometry to nine Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the ninth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1212365
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; Li12Ge7; Ge-Li
OSTI Identifier:
1749333
DOI:
https://doi.org/10.17188/1749333

Citation Formats

The Materials Project. Materials Data on Li12Ge7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1749333.
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The Materials Project. Materials Data on Li12Ge7 by Materials Project. United States. doi:https://doi.org/10.17188/1749333
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The Materials Project. 2019. "Materials Data on Li12Ge7 by Materials Project". United States. doi:https://doi.org/10.17188/1749333. https://www.osti.gov/servlets/purl/1749333. Pub date:Sat Jan 12 00:00:00 EST 2019
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@article{osti_1749333,
title = {Materials Data on Li12Ge7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li12Ge7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are thirteen inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to one Li and five Ge atoms. The Li–Li bond length is 2.96 Å. There are a spread of Li–Ge bond distances ranging from 2.63–3.10 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to one Li and five Ge atoms. The Li–Li bond length is 2.87 Å. There are a spread of Li–Ge bond distances ranging from 2.73–2.87 Å. In the third Li site, Li is bonded in a 11-coordinate geometry to six Li and five Ge atoms. There are a spread of Li–Li bond distances ranging from 2.55–3.03 Å. There are a spread of Li–Ge bond distances ranging from 2.69–2.94 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to five Li and five Ge atoms. There are a spread of Li–Li bond distances ranging from 2.92–3.01 Å. There are a spread of Li–Ge bond distances ranging from 2.68–2.89 Å. In the fifth Li site, Li is bonded in a 3-coordinate geometry to one Li and five Ge atoms. The Li–Li bond length is 2.83 Å. There are a spread of Li–Ge bond distances ranging from 2.65–2.89 Å. In the sixth Li site, Li is bonded in a 2-coordinate geometry to three Ge atoms. There are two shorter (2.62 Å) and one longer (3.00 Å) Li–Ge bond lengths. In the seventh Li site, Li is bonded in a 3-coordinate geometry to one Li and four Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.64–3.06 Å. In the eighth Li site, Li is bonded in a 2-coordinate geometry to five Li and ten Ge atoms. The Li–Li bond length is 2.87 Å. There are a spread of Li–Ge bond distances ranging from 2.93–3.25 Å. In the ninth Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Li and three Ge atoms. The Li–Li bond length is 2.86 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.89 Å. In the tenth Li site, Li is bonded in a 4-coordinate geometry to one Li and four Ge atoms. The Li–Li bond length is 2.60 Å. There are a spread of Li–Ge bond distances ranging from 2.66–2.87 Å. In the eleventh Li site, Li is bonded in a 11-coordinate geometry to six Li and five Ge atoms. The Li–Li bond length is 2.48 Å. There are a spread of Li–Ge bond distances ranging from 2.67–2.99 Å. In the twelfth Li site, Li is bonded in a 10-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.73–2.95 Å. In the thirteenth Li site, Li is bonded in a 5-coordinate geometry to one Li and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–2.85 Å. There are nine inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to ten Li and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to seven Li and three Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 10-coordinate geometry to nine Li and two Ge atoms. There are one shorter (2.51 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 11-coordinate geometry to ten Li and one Ge atom. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 10-coordinate geometry to nine Li and one Ge atom. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the eighth Ge site, Ge is bonded in a 11-coordinate geometry to nine Li and two Ge atoms. The Ge–Ge bond length is 2.51 Å. In the ninth Ge site, Ge is bonded in a 10-coordinate geometry to eight Li and two Ge atoms.},
doi = {10.17188/1749333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.17188/1749333
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