Materials Data on SrCN2 by Materials Project

doi:10.17188/1313027

Title: Materials Data on SrCN2 by Materials Project

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Abstract

SrCN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Sr–N bond distances ranging from 2.63–2.70 Å. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra. In the second N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra.

Publication Date:: 2017-05-25

Other Number(s):: mp-9167

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; C-N-Sr; SrCN2; crystal structure

OSTI Identifier:: 1313027

DOI:: https://doi.org/10.17188/1313027

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                    Materials Data on SrCN2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1313027.

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                    Materials Data on SrCN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313027

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                    2017.  
"Materials Data on SrCN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313027.  https://www.osti.gov/servlets/purl/1313027. Pub date:Thu May 25 00:00:00 EDT 2017

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@article{osti_1313027,

  title        = {Materials Data on SrCN2 by Materials Project},

  
  abstractNote = {SrCN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Sr–N bond distances ranging from 2.63–2.70 Å. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra. In the second N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra.},

  doi          = {10.17188/1313027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1313027

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