Materials Data on Rb2NbCuS2 by Materials Project

doi:10.17188/1688026

Title: Materials Data on Rb2NbCuS2 by Materials Project

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Abstract

Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1210898

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; Rb2NbCuS2; Cu-Nb-Rb-S

OSTI Identifier:: 1688026

DOI:: https://doi.org/10.17188/1688026

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                    The Materials Project. Materials Data on Rb2NbCuS2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688026.

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                    The Materials Project. Materials Data on Rb2NbCuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688026

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                    The Materials Project. 2019.  
"Materials Data on Rb2NbCuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688026.  https://www.osti.gov/servlets/purl/1688026. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1688026,

  title        = {Materials Data on Rb2NbCuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2NbCuS2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four Rb2NbCuS2 sheets oriented in the (0, 0, 1) direction. Rb is bonded in a 4-coordinate geometry to one Cu and three equivalent S atoms. The Rb–Cu bond length is 3.38 Å. There are a spread of Rb–S bond distances ranging from 3.23–3.72 Å. Nb is bonded in a 4-coordinate geometry to four equivalent S atoms. There are two shorter (2.45 Å) and two longer (2.75 Å) Nb–S bond lengths. Cu is bonded in a linear geometry to two equivalent Rb and two equivalent S atoms. Both Cu–S bond lengths are 2.14 Å. S is bonded in a 6-coordinate geometry to three equivalent Rb, two equivalent Nb, and one Cu atom.},

  doi          = {10.17188/1688026},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1688026

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