Materials Data on Sr3B3N5 by Materials Project

doi:10.17188/1675875

Title: Materials Data on Sr3B3N5 by Materials Project

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Abstract

Sr3B3N5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.59–3.26 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.50–2.78 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.83 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.42–1.51 Å. In the second B3+ site, B3+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.41–1.57 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.43–1.52 Å. There are five inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029490

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; Sr3B3N5; B-N-Sr

OSTI Identifier:: 1675875

DOI:: https://doi.org/10.17188/1675875

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                    The Materials Project. Materials Data on Sr3B3N5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675875.

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                    The Materials Project. Materials Data on Sr3B3N5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675875

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                    The Materials Project. 2020.  
"Materials Data on Sr3B3N5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675875.  https://www.osti.gov/servlets/purl/1675875. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675875,

  title        = {Materials Data on Sr3B3N5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3B3N5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.59–3.26 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.50–2.78 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.83 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.42–1.51 Å. In the second B3+ site, B3+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.41–1.57 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.43–1.52 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two B3+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two B3+ atoms. In the third N3- site, N3- is bonded to three Sr2+ and two equivalent B3+ atoms to form distorted edge-sharing NSr3B2 trigonal bipyramids. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to four Sr2+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two B3+ atoms.},

  doi          = {10.17188/1675875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675875

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