Materials Data on Cs2TiS3 by Materials Project
Abstract
Cs2TiS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.86 Å. Ti4+ is bonded to five S2- atoms to form distorted edge-sharing TiS5 trigonal bipyramids. There are one shorter (2.24 Å) and four longer (2.42 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Ti4+ atom.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1206241
- Report Number(s):
- mp-3247
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Cs2TiS3; Cs-S-Ti
Citation Formats
The Materials Project. Materials Data on Cs2TiS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206241.
The Materials Project. Materials Data on Cs2TiS3 by Materials Project. United States. https://doi.org/10.17188/1206241
The Materials Project. 2020.
"Materials Data on Cs2TiS3 by Materials Project". United States. https://doi.org/10.17188/1206241. https://www.osti.gov/servlets/purl/1206241.
@article{osti_1206241,
title = {Materials Data on Cs2TiS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2TiS3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.86 Å. Ti4+ is bonded to five S2- atoms to form distorted edge-sharing TiS5 trigonal bipyramids. There are one shorter (2.24 Å) and four longer (2.42 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Ti4+ atom.},
doi = {10.17188/1206241},
url = {https://www.osti.gov/biblio/1206241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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