Materials Data on Nb3(BiS3)2 by Materials Project

doi:10.17188/1202948

Title: Materials Data on Nb3(BiS3)2 by Materials Project

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Abstract

Nb3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.49 Å) Nb–S bond lengths. Bi3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.83 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb2+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-28868

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; Nb3(BiS3)2; Bi-Nb-S

OSTI Identifier:: 1202948

DOI:: https://doi.org/10.17188/1202948

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                    The Materials Project. Materials Data on Nb3(BiS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202948.

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                    The Materials Project. Materials Data on Nb3(BiS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202948

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                    The Materials Project. 2020.  
"Materials Data on Nb3(BiS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202948.  https://www.osti.gov/servlets/purl/1202948. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1202948,

  title        = {Materials Data on Nb3(BiS3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3(BiS3)2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. There are two shorter (2.48 Å) and four longer (2.49 Å) Nb–S bond lengths. Bi3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Bi–S bond lengths are 2.83 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb2+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb2+ atoms.},

  doi          = {10.17188/1202948},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202948

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