Materials Data on SrNbO3 by Materials Project

doi:10.17188/1186970

Title: Materials Data on SrNbO3 by Materials Project

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Abstract

SrNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–3.23 Å. Nb4+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are two shorter (2.05 Å) and four longer (2.06 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-10339

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; SrNbO3; Nb-O-Sr

OSTI Identifier:: 1186970

DOI:: https://doi.org/10.17188/1186970

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                    The Materials Project. Materials Data on SrNbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186970.

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                    The Materials Project. Materials Data on SrNbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186970

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                    The Materials Project. 2020.  
"Materials Data on SrNbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186970.  https://www.osti.gov/servlets/purl/1186970. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1186970,

  title        = {Materials Data on SrNbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–3.23 Å. Nb4+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are two shorter (2.05 Å) and four longer (2.06 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms.},

  doi          = {10.17188/1186970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1186970

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