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Title: Materials Data on RbLi7Ge8 by Materials Project

Abstract

RbLi7Ge8 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to six Li and seven Ge atoms. There are three shorter (3.58 Å) and three longer (3.90 Å) Rb–Li bond lengths. There are one shorter (3.74 Å) and six longer (3.87 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to six Li and twelve Ge atoms. There are three shorter (3.56 Å) and three longer (3.63 Å) Rb–Li bond lengths. There are a spread of Rb–Ge bond distances ranging from 3.67–3.75 Å. There are six inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Rb and three Ge atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Rb and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.64–3.12 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to one Rb andmore » six Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.77–2.87 Å. In the fourth Li site, Li is bonded in a 9-coordinate geometry to one Li and nine Ge atoms. The Li–Li bond length is 3.01 Å. There are a spread of Li–Ge bond distances ranging from 2.85–3.07 Å. In the fifth Li site, Li is bonded in a 9-coordinate geometry to one Li and nine Ge atoms. The Li–Li bond length is 3.01 Å. There are six shorter (2.91 Å) and three longer (3.04 Å) Li–Ge bond lengths. In the sixth Li site, Li is bonded in a 12-coordinate geometry to four Li and twelve Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.99–3.10 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to one Rb, six Li, and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Rb, five Li, and three Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the third Ge site, Ge is bonded in a 11-coordinate geometry to one Rb, seven Li, and three Ge atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to two Rb, five Li, and three Ge atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Li and three Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-29974
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; RbLi7Ge8; Ge-Li-Rb
OSTI Identifier:
1204407
DOI:
https://doi.org/10.17188/1204407

Citation Formats

The Materials Project. Materials Data on RbLi7Ge8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204407.
The Materials Project. Materials Data on RbLi7Ge8 by Materials Project. United States. doi:https://doi.org/10.17188/1204407
The Materials Project. 2020. "Materials Data on RbLi7Ge8 by Materials Project". United States. doi:https://doi.org/10.17188/1204407. https://www.osti.gov/servlets/purl/1204407. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1204407,
title = {Materials Data on RbLi7Ge8 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLi7Ge8 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to six Li and seven Ge atoms. There are three shorter (3.58 Å) and three longer (3.90 Å) Rb–Li bond lengths. There are one shorter (3.74 Å) and six longer (3.87 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to six Li and twelve Ge atoms. There are three shorter (3.56 Å) and three longer (3.63 Å) Rb–Li bond lengths. There are a spread of Rb–Ge bond distances ranging from 3.67–3.75 Å. There are six inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal non-coplanar geometry to one Rb and three Ge atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a distorted trigonal non-coplanar geometry to two Rb and five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.64–3.12 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to one Rb and six Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.77–2.87 Å. In the fourth Li site, Li is bonded in a 9-coordinate geometry to one Li and nine Ge atoms. The Li–Li bond length is 3.01 Å. There are a spread of Li–Ge bond distances ranging from 2.85–3.07 Å. In the fifth Li site, Li is bonded in a 9-coordinate geometry to one Li and nine Ge atoms. The Li–Li bond length is 3.01 Å. There are six shorter (2.91 Å) and three longer (3.04 Å) Li–Ge bond lengths. In the sixth Li site, Li is bonded in a 12-coordinate geometry to four Li and twelve Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.99–3.10 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to one Rb, six Li, and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to one Rb, five Li, and three Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the third Ge site, Ge is bonded in a 11-coordinate geometry to one Rb, seven Li, and three Ge atoms. There are one shorter (2.55 Å) and two longer (2.66 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to two Rb, five Li, and three Ge atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Li and three Ge atoms. Both Ge–Ge bond lengths are 2.69 Å.},
doi = {10.17188/1204407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}