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Title: Materials Data on Rb(NbS2)2 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-1219792
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb(NbS2)2; Nb-Rb-S
OSTI Identifier:
1707187
DOI:
https://doi.org/10.17188/1707187

Citation Formats

The Materials Project. Materials Data on Rb(NbS2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707187.
The Materials Project. Materials Data on Rb(NbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1707187
The Materials Project. 2019. "Materials Data on Rb(NbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1707187. https://www.osti.gov/servlets/purl/1707187. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707187,
title = {Materials Data on Rb(NbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1707187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}