Materials Data on NbSbF10 by Materials Project

doi:10.17188/1201692

Title: Materials Data on NbSbF10 by Materials Project

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Abstract

NbSbF10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two NbSbF10 ribbons oriented in the (1, 0, 0) direction. Nb5+ is bonded to six F1- atoms to form distorted NbF6 octahedra that share corners with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.85–2.21 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-27472

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; NbSbF10; F-Nb-Sb

OSTI Identifier:: 1201692

DOI:: https://doi.org/10.17188/1201692

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                    The Materials Project. Materials Data on NbSbF10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201692.

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                    The Materials Project. Materials Data on NbSbF10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201692

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                    The Materials Project. 2020.  
"Materials Data on NbSbF10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201692.  https://www.osti.gov/servlets/purl/1201692. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1201692,

  title        = {Materials Data on NbSbF10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbSbF10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two NbSbF10 ribbons oriented in the (1, 0, 0) direction. Nb5+ is bonded to six F1- atoms to form distorted NbF6 octahedra that share corners with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.85–2.21 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.},

  doi          = {10.17188/1201692},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201692

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