U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2NbCuS2 by Materials Project
Abstract
Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.
- Publication Date:
- Other Number(s):
- mp-1210898
- 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; Cu-Nb-Rb-S; Rb2NbCuS2; crystal structure
- OSTI Identifier:
- 1688026
- DOI:
- https://doi.org/10.17188/1688026
Citation Formats
Materials Data on Rb2NbCuS2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1688026.
Materials Data on Rb2NbCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1688026
2019.
"Materials Data on Rb2NbCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1688026. https://www.osti.gov/servlets/purl/1688026. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1688026,
title = {Materials Data on Rb2NbCuS2 by Materials Project},
abstractNote = {Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.},
doi = {10.17188/1688026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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