Materials Data on Sm5Si3NO12 by Materials Project

doi:10.17188/1677317

Title: Materials Data on Sm5Si3NO12 by Materials Project

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Abstract

Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.77 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Sm–N bond length is 2.22 Å. There are a spread of Sm–O bond distances ranging from 2.42–2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. N3- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1208747

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; Sm5Si3NO12; N-O-Si-Sm

OSTI Identifier:: 1677317

DOI:: https://doi.org/10.17188/1677317

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                    The Materials Project. Materials Data on Sm5Si3NO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677317.

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                    The Materials Project. Materials Data on Sm5Si3NO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677317

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                    The Materials Project. 2020.  
"Materials Data on Sm5Si3NO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677317.  https://www.osti.gov/servlets/purl/1677317. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1677317,

  title        = {Materials Data on Sm5Si3NO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.77 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Sm–N bond length is 2.22 Å. There are a spread of Sm–O bond distances ranging from 2.42–2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. N3- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom.},

  doi          = {10.17188/1677317},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1677317

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