Materials Data on Rb2Mo9S11 by Materials Project
Abstract
Rb2Mo9S11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.07–3.53 Å. There are two inequivalent Mo+2.22+ sites. In the first Mo+2.22+ site, Mo+2.22+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the second Mo+2.22+ site, Mo+2.22+ is bonded in a see-saw-like geometry to four S2- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Mo–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Mo+2.22+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Rb1+ and four Mo+2.22+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+ and three equivalent Mo+2.22+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-15905
- 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; Rb2Mo9S11; Mo-Rb-S
- OSTI Identifier:
- 1191454
- DOI:
- https://doi.org/10.17188/1191454
Citation Formats
The Materials Project. Materials Data on Rb2Mo9S11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191454.
The Materials Project. Materials Data on Rb2Mo9S11 by Materials Project. United States. doi:https://doi.org/10.17188/1191454
The Materials Project. 2020.
"Materials Data on Rb2Mo9S11 by Materials Project". United States. doi:https://doi.org/10.17188/1191454. https://www.osti.gov/servlets/purl/1191454. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1191454,
title = {Materials Data on Rb2Mo9S11 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Mo9S11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.07–3.53 Å. There are two inequivalent Mo+2.22+ sites. In the first Mo+2.22+ site, Mo+2.22+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the second Mo+2.22+ site, Mo+2.22+ is bonded in a see-saw-like geometry to four S2- atoms. There are two shorter (2.46 Å) and two longer (2.47 Å) Mo–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four Mo+2.22+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Rb1+ and four Mo+2.22+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+ and three equivalent Mo+2.22+ atoms.},
doi = {10.17188/1191454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}