Materials Data on BaSi2(NO)2 by Materials Project

doi:10.17188/1283039

Title: Materials Data on BaSi2(NO)2 by Materials Project

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Abstract

BaSi2O2N2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to two equivalent N3- and eight equivalent O2- atoms. Both Ba–N bond lengths are 3.33 Å. There are a spread of Ba–O bond distances ranging from 2.79–3.09 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to one Ba2+ and three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-6764

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; BaSi2(NO)2; Ba-N-O-Si

OSTI Identifier:: 1283039

DOI:: https://doi.org/10.17188/1283039

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                    The Materials Project. Materials Data on BaSi2(NO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283039.

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                    The Materials Project. Materials Data on BaSi2(NO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283039

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                    The Materials Project. 2020.  
"Materials Data on BaSi2(NO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283039.  https://www.osti.gov/servlets/purl/1283039. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1283039,

  title        = {Materials Data on BaSi2(NO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSi2O2N2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to two equivalent N3- and eight equivalent O2- atoms. Both Ba–N bond lengths are 3.33 Å. There are a spread of Ba–O bond distances ranging from 2.79–3.09 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to one Ba2+ and three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.},

  doi          = {10.17188/1283039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1283039

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