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Title: Materials Data on Rb2GeS3 by Materials Project

Abstract

Rb2GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven S2- atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent RbS7 pentagonal bipyramids, corners with three equivalent GeS4 tetrahedra, edges with four equivalent RbS7 pentagonal bipyramids, and edges with three equivalent GeS4 tetrahedra. There are a spread of Rb–S bond distances ranging from 3.36–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.99 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent RbS7 pentagonal bipyramids, edges with three equivalent RbS7 pentagonal bipyramids, and an edgeedge with one GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.18–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the second S2- site, S2- is bonded tomore » five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-11639
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; Rb2GeS3; Ge-Rb-S
OSTI Identifier:
1188120
DOI:
https://doi.org/10.17188/1188120

Citation Formats

The Materials Project. Materials Data on Rb2GeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188120.
The Materials Project. Materials Data on Rb2GeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1188120
The Materials Project. 2020. "Materials Data on Rb2GeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1188120. https://www.osti.gov/servlets/purl/1188120. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188120,
title = {Materials Data on Rb2GeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven S2- atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent RbS7 pentagonal bipyramids, corners with three equivalent GeS4 tetrahedra, edges with four equivalent RbS7 pentagonal bipyramids, and edges with three equivalent GeS4 tetrahedra. There are a spread of Rb–S bond distances ranging from 3.36–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.99 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent RbS7 pentagonal bipyramids, edges with three equivalent RbS7 pentagonal bipyramids, and an edgeedge with one GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.18–2.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the second S2- site, S2- is bonded to five Rb1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedra tilt angles range from 7–75°. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1188120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}