Materials Data on Mn(NbS2)2 by Materials Project

doi:10.17188/1355510

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

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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.

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1025312

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mn(NbS2)2; Mn-Nb-S; crystal structure

OSTI Identifier:: 1355510

DOI:: https://doi.org/10.17188/1355510

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                    Materials Data on Mn(NbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355510.

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                    Materials Data on Mn(NbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355510

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                    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

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@article{osti_1355510,

  title        = {Materials Data on Mn(NbS2)2 by 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         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355510

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