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Title: Materials Data on RbTiS2 by Materials Project

Abstract

RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–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 Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.

Publication Date:
Other Number(s):
mp-16318
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; RbTiS2; Rb-S-Ti
OSTI Identifier:
1191773
DOI:
https://doi.org/10.17188/1191773

Citation Formats

The Materials Project. Materials Data on RbTiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191773.
The Materials Project. Materials Data on RbTiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1191773
The Materials Project. 2020. "Materials Data on RbTiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1191773. https://www.osti.gov/servlets/purl/1191773. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191773,
title = {Materials Data on RbTiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.28 Å) Rb–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.52 Å) and three longer (2.53 Å) Ti–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 Ti3+ atoms. In the second S2- site, S2- is bonded to three equivalent Rb1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SRb3Ti3 octahedra.},
doi = {10.17188/1191773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}