U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2MoSe4 by Materials Project
Abstract
Rb2MoSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–3.93 Å. Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.33 Å) and one longer (2.35 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1193232
- 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; Mo-Rb-Se; Rb2MoSe4
- OSTI Identifier:
- 1654927
- DOI:
- https://doi.org/10.17188/1654927
Citation Formats
Materials Data on Rb2MoSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654927.
Materials Data on Rb2MoSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1654927
2020.
"Materials Data on Rb2MoSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1654927. https://www.osti.gov/servlets/purl/1654927. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1654927,
title = {Materials Data on Rb2MoSe4 by Materials Project},
abstractNote = {Rb2MoSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–3.93 Å. Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.33 Å) and one longer (2.35 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.},
doi = {10.17188/1654927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}