Materials Data on Nb3Sb2Te5 by Materials Project

doi:10.17188/1272885

Title: Materials Data on Nb3Sb2Te5 by Materials Project

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Abstract

Nb3Sb2Te5 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to two equivalent Sb+2.50- and six Te2- atoms. Both Nb–Sb bond lengths are 2.91 Å. There are two shorter (2.90 Å) and four longer (2.93 Å) Nb–Te bond lengths. Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Te2- atoms. There are one shorter (2.94 Å) and three longer (3.26 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Nb5+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Sb+2.50- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-569571

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; Nb3Sb2Te5; Nb-Sb-Te

OSTI Identifier:: 1272885

DOI:: https://doi.org/10.17188/1272885

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                    The Materials Project. Materials Data on Nb3Sb2Te5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272885.

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                    The Materials Project. Materials Data on Nb3Sb2Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272885

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                    The Materials Project. 2020.  
"Materials Data on Nb3Sb2Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272885.  https://www.osti.gov/servlets/purl/1272885. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1272885,

  title        = {Materials Data on Nb3Sb2Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3Sb2Te5 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to two equivalent Sb+2.50- and six Te2- atoms. Both Nb–Sb bond lengths are 2.91 Å. There are two shorter (2.90 Å) and four longer (2.93 Å) Nb–Te bond lengths. Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Te2- atoms. There are one shorter (2.94 Å) and three longer (3.26 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Nb5+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and four equivalent Sb+2.50- atoms.},

  doi          = {10.17188/1272885},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1272885

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