Materials Data on BaSi2(NO)2 by Materials Project

doi:10.17188/1653441

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

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Abstract

BaSi2O2N2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.04 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 three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.

Publication Date:: 2019-01-12

Other Number(s):: mp-1227822

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ba-N-O-Si; BaSi2(NO)2; crystal structure

OSTI Identifier:: 1653441

DOI:: https://doi.org/10.17188/1653441

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                    Materials Data on BaSi2(NO)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1653441.

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                    Materials Data on BaSi2(NO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653441

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                    2019.  
"Materials Data on BaSi2(NO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653441.  https://www.osti.gov/servlets/purl/1653441. Pub date:Sat Jan 12 23:00:00 EST 2019

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@article{osti_1653441,

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

  
  abstractNote = {BaSi2O2N2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.04 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 three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.},

  doi          = {10.17188/1653441},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1653441

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Materials Data on BaSi2(NO)2 by Materials Project

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