DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb8Hg3Ge43 by Materials Project

Abstract

Rb8Hg3Ge43 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.51–3.63 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.77–3.94 Å. In the third Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.76–3.94 Å. Hg is bonded to four Rb and four Ge atoms to form distorted corner-sharing HgRb4Ge4 tetrahedra. All Hg–Ge bond lengths are 2.64 Å. There are nine 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 2.55–2.63 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, onemore » Hg, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.54–2.61 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 (2.55 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the fifth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixth 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 seventh Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.60 Å. In the eighth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.57 Å. In the ninth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.55 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1219674
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; Rb8Hg3Ge43; Ge-Hg-Rb
OSTI Identifier:
1695341
DOI:
https://doi.org/10.17188/1695341

Citation Formats

The Materials Project. Materials Data on Rb8Hg3Ge43 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695341.
The Materials Project. Materials Data on Rb8Hg3Ge43 by Materials Project. United States. doi:https://doi.org/10.17188/1695341
The Materials Project. 2020. "Materials Data on Rb8Hg3Ge43 by Materials Project". United States. doi:https://doi.org/10.17188/1695341. https://www.osti.gov/servlets/purl/1695341. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1695341,
title = {Materials Data on Rb8Hg3Ge43 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb8Hg3Ge43 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.51–3.63 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.77–3.94 Å. In the third Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.76–3.94 Å. Hg is bonded to four Rb and four Ge atoms to form distorted corner-sharing HgRb4Ge4 tetrahedra. All Hg–Ge bond lengths are 2.64 Å. There are nine 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 2.55–2.63 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.54–2.61 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 (2.55 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the fifth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixth 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 seventh Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.60 Å. In the eighth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.57 Å. In the ninth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.55 Å.},
doi = {10.17188/1695341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}