Title: Materials Data on Rb4Ge23 by Materials Project

Abstract

Rb4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are six inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the third Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fourth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fifth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the sixth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. There aremore » twenty-four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the seventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the tenth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the twelfth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the thirteenth Ge site, Ge is bonded to four Rb and four Ge atoms to form distorted corner-sharing GeRb4Ge4 tetrahedra. In the fourteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the fifteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the seventeenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the eighteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the nineteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twentieth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-first Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-second Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-third Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å. In the twenty-fourth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å.« less

Publication Date:
Other Number(s):
mp-1209551
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Ge-Rb; Rb4Ge23
OSTI Identifier:
1678649
DOI:
https://doi.org/10.17188/1678649

Citation Formats

Materials Data on Rb4Ge23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678649.
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Materials Data on Rb4Ge23 by Materials Project. United States. doi:https://doi.org/10.17188/1678649
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2020. "Materials Data on Rb4Ge23 by Materials Project". United States. doi:https://doi.org/10.17188/1678649. https://www.osti.gov/servlets/purl/1678649. Pub date:Wed Apr 29 20:00:00 EDT 2020
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@article{osti_1678649,
title = {Materials Data on Rb4Ge23 by Materials Project},
abstractNote = {Rb4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are six inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.57 Å) and twelve longer (3.67 Å) Rb–Ge bond lengths. In the third Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fourth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the fifth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. In the sixth Rb site, Rb is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.78 Å) and four longer (3.95 Å) Rb–Ge bond lengths. There are twenty-four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the seventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the ninth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the tenth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.67 Å. In the eleventh Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the twelfth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.57 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the thirteenth Ge site, Ge is bonded to four Rb and four Ge atoms to form distorted corner-sharing GeRb4Ge4 tetrahedra. In the fourteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the fifteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixteenth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the seventeenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the eighteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the nineteenth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twentieth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-first Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-second Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the twenty-third Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å. In the twenty-fourth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. All Ge–Ge bond lengths are 2.57 Å.},
doi = {10.17188/1678649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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DOI: https://doi.org/10.17188/1678649
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