Materials Data on RbGa3S5 by Materials Project
Abstract
RbGa3S5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.44–3.92 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.39 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.38 Å. In the third Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.36 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and three Ga3+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558706
- 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; RbGa3S5; Ga-Rb-S
- OSTI Identifier:
- 1270460
- DOI:
- https://doi.org/10.17188/1270460
Citation Formats
The Materials Project. Materials Data on RbGa3S5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270460.
The Materials Project. Materials Data on RbGa3S5 by Materials Project. United States. doi:https://doi.org/10.17188/1270460
The Materials Project. 2020.
"Materials Data on RbGa3S5 by Materials Project". United States. doi:https://doi.org/10.17188/1270460. https://www.osti.gov/servlets/purl/1270460. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270460,
title = {Materials Data on RbGa3S5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbGa3S5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.44–3.92 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.39 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.38 Å. In the third Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.36 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and three Ga3+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and three Ga3+ atoms. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two Ga3+ atoms.},
doi = {10.17188/1270460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}