Materials Data on Nb2CoS4 by Materials Project
Abstract
CoNb2S4 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoNb2S4 sheet oriented in the (0, 0, 1) direction. Nb+3.50+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Nb–S bond lengths. Co1+ is bonded to six equivalent S2- atoms to form edge-sharing CoS6 octahedra. All Co–S bond lengths are 2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Nb+3.50+ and three equivalent Co1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025350
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Nb2CoS4; Co-Nb-S
- OSTI Identifier:
- 1355566
- DOI:
- https://doi.org/10.17188/1355566
Citation Formats
The Materials Project. Materials Data on Nb2CoS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355566.
The Materials Project. Materials Data on Nb2CoS4 by Materials Project. United States. doi:https://doi.org/10.17188/1355566
The Materials Project. 2020.
"Materials Data on Nb2CoS4 by Materials Project". United States. doi:https://doi.org/10.17188/1355566. https://www.osti.gov/servlets/purl/1355566. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1355566,
title = {Materials Data on Nb2CoS4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoNb2S4 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoNb2S4 sheet oriented in the (0, 0, 1) direction. Nb+3.50+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Nb–S bond lengths. Co1+ is bonded to six equivalent S2- atoms to form edge-sharing CoS6 octahedra. All Co–S bond lengths are 2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Nb+3.50+ and three equivalent Co1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms.},
doi = {10.17188/1355566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}