Materials Data on Sr2CuC(NO)2 by Materials Project

doi:10.17188/1354958

Title: Materials Data on Sr2CuC(NO)2 by Materials Project

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Abstract

Sr2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All Sr–N bond lengths are 2.93 Å. All Sr–O bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one C4+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-23

Other Number(s):: mp-1021672

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-Cu-N-O-Sr; Sr2CuC(NO)2; crystal structure

OSTI Identifier:: 1354958

DOI:: https://doi.org/10.17188/1354958

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                    Materials Data on Sr2CuC(NO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1354958.

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                    Materials Data on Sr2CuC(NO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1354958

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                    2020.  
"Materials Data on Sr2CuC(NO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1354958.  https://www.osti.gov/servlets/purl/1354958. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1354958,

  title        = {Materials Data on Sr2CuC(NO)2 by Materials Project},

  
  abstractNote = {Sr2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All Sr–N bond lengths are 2.93 Å. All Sr–O bond lengths are 2.59 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Sr2+ and one C4+ atom. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1354958},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1354958

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