Materials Data on NaSrBO3 by Materials Project

doi:10.17188/1269484

Title: Materials Data on NaSrBO3 by Materials Project

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Abstract

NaSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.31–2.65 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.86 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-556695

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; NaSrBO3; B-Na-O-Sr

OSTI Identifier:: 1269484

DOI:: https://doi.org/10.17188/1269484

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                    The Materials Project. Materials Data on NaSrBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269484.

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                    The Materials Project. Materials Data on NaSrBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269484

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                    The Materials Project. 2020.  
"Materials Data on NaSrBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269484.  https://www.osti.gov/servlets/purl/1269484. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1269484,

  title        = {Materials Data on NaSrBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaSrBO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.31–2.65 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.86 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, three equivalent Sr2+, and one B3+ atom.},

  doi          = {10.17188/1269484},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269484

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