Materials Data on Mn(NbS2)2 by Materials Project
Abstract
Mn(NbS2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mn(NbS2)2 sheet oriented in the (0, 0, 1) direction. Nb3+ 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. Mn2+ is bonded to six equivalent S2- atoms to form edge-sharing MnS6 octahedra. All Mn–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Nb3+ and three equivalent Mn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025312
- 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; Mn(NbS2)2; Mn-Nb-S
- OSTI Identifier:
- 1355510
- DOI:
- https://doi.org/10.17188/1355510
Citation Formats
The Materials Project. Materials Data on Mn(NbS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355510.
The Materials Project. Materials Data on Mn(NbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355510
The Materials Project. 2020.
"Materials Data on Mn(NbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355510. https://www.osti.gov/servlets/purl/1355510. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1355510,
title = {Materials Data on Mn(NbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(NbS2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mn(NbS2)2 sheet oriented in the (0, 0, 1) direction. Nb3+ 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. Mn2+ is bonded to six equivalent S2- atoms to form edge-sharing MnS6 octahedra. All Mn–S bond lengths are 2.34 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Nb3+ and three equivalent Mn2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms.},
doi = {10.17188/1355510},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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