Materials Data on Sr7SiB3NO13 by Materials Project

doi:10.17188/1287151

Title: Materials Data on Sr7SiB3NO13 by Materials Project

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Abstract

Sr7B3SiNO13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to two equivalent N1- and seven O2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.59–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.98 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. N1- is bonded in a 9-coordinate geometry to six equivalent Sr2+ and three equivalent O2- atoms. All N–O bond lengths are 2.93 Å. There are five inequivalent O2- sites.more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-720338

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; Sr7SiB3NO13; B-N-O-Si-Sr

OSTI Identifier:: 1287151

DOI:: https://doi.org/10.17188/1287151

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                    The Materials Project. Materials Data on Sr7SiB3NO13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287151.

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                    The Materials Project. Materials Data on Sr7SiB3NO13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287151

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                    The Materials Project. 2020.  
"Materials Data on Sr7SiB3NO13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287151.  https://www.osti.gov/servlets/purl/1287151. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1287151,

  title        = {Materials Data on Sr7SiB3NO13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr7B3SiNO13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to two equivalent N1- and seven O2- atoms. There are one shorter (2.83 Å) and one longer (3.21 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.59–3.05 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.77 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.98 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. N1- is bonded in a 9-coordinate geometry to six equivalent Sr2+ and three equivalent O2- atoms. All N–O bond lengths are 2.93 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+, one B3+, and one N1- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Sr2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Sr2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal bipyramidal geometry to four Sr2+ and one Si4+ atom.},

  doi          = {10.17188/1287151},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287151

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