Materials Data on Rb(Nb3S4)2 by Materials Project
Abstract
Rb(Nb3S4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.26 Å. Nb+2.50+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NbS6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Nb–S bond distances ranging from 2.48–2.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Rb1+ and four equivalent Nb+2.50+ atoms. In the second S2- site, S2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SNb6 pentagonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219680
- 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; Rb(Nb3S4)2; Nb-Rb-S
- OSTI Identifier:
- 1675735
- DOI:
- https://doi.org/10.17188/1675735
Citation Formats
The Materials Project. Materials Data on Rb(Nb3S4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1675735.
The Materials Project. Materials Data on Rb(Nb3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1675735
The Materials Project. 2019.
"Materials Data on Rb(Nb3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1675735. https://www.osti.gov/servlets/purl/1675735. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1675735,
title = {Materials Data on Rb(Nb3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb(Nb3S4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.26 Å. Nb+2.50+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NbS6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Nb–S bond distances ranging from 2.48–2.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Rb1+ and four equivalent Nb+2.50+ atoms. In the second S2- site, S2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SNb6 pentagonal pyramids.},
doi = {10.17188/1675735},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}
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