Materials Data on Rb(NbS2)2 by Materials Project
Rb(NbS2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Rb(NbS2)2 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.25 Å. Nb+3.50+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are three shorter (2.48 Å) and three longer (2.53 Å) Nb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+ and three equivalent Nb+3.50+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1707187
- Report Number(s):
- mp-1219792
- Country of Publication:
- United States
- Language:
- English
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