Materials Data on Sr3Nb by Materials Project

doi:10.17188/1651517

Title: Materials Data on Sr3Nb by Materials Project

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Abstract

Sr3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Sr and four equivalent Nb atoms to form a mixture of distorted edge, face, and corner-sharing SrSr4Nb4 tetrahedra. All Sr–Sr bond lengths are 3.72 Å. All Sr–Nb bond lengths are 3.72 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Sr and six equivalent Nb atoms. All Sr–Nb bond lengths are 4.29 Å. Nb is bonded in a body-centered cubic geometry to fourteen Sr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1187120

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; Sr3Nb; Nb-Sr

OSTI Identifier:: 1651517

DOI:: https://doi.org/10.17188/1651517

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                    The Materials Project. Materials Data on Sr3Nb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651517.

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                    The Materials Project. Materials Data on Sr3Nb by Materials Project.  United States.  doi:https://doi.org/10.17188/1651517

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                    The Materials Project. 2020.  
"Materials Data on Sr3Nb by Materials Project".  United States.  doi:https://doi.org/10.17188/1651517.  https://www.osti.gov/servlets/purl/1651517. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1651517,

  title        = {Materials Data on Sr3Nb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Sr and four equivalent Nb atoms to form a mixture of distorted edge, face, and corner-sharing SrSr4Nb4 tetrahedra. All Sr–Sr bond lengths are 3.72 Å. All Sr–Nb bond lengths are 3.72 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight equivalent Sr and six equivalent Nb atoms. All Sr–Nb bond lengths are 4.29 Å. Nb is bonded in a body-centered cubic geometry to fourteen Sr atoms.},

  doi          = {10.17188/1651517},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651517

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