Materials Data on Rb(NbS2)2 by Materials Project

doi:10.17188/1707187

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

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Abstract

Rb(NbS2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Rb(NbS2)2 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.25 Å. Nb+3.50+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are three shorter (2.48 Å) and three longer (2.53 Å) Nb–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 Nb+3.50+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219792

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; Rb(NbS2)2; Nb-Rb-S

OSTI Identifier:: 1707187

DOI:: https://doi.org/10.17188/1707187

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                    The Materials Project. Materials Data on Rb(NbS2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707187.

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                    The Materials Project. Materials Data on Rb(NbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707187

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                    The Materials Project. 2019.  
"Materials Data on Rb(NbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707187.  https://www.osti.gov/servlets/purl/1707187. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1707187,

  title        = {Materials Data on Rb(NbS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb(NbS2)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Rb(NbS2)2 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.25 Å. Nb+3.50+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are three shorter (2.48 Å) and three longer (2.53 Å) Nb–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 Nb+3.50+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.},

  doi          = {10.17188/1707187},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707187

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