Materials Data on K2SrNi(NO2)6 by Materials Project

doi:10.17188/1194381

Title: Materials Data on K2SrNi(NO2)6 by Materials Project

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Abstract

K2Sr(NO2)6Ni crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K2Sr(NO2)6 framework. In the K2Sr(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent SrO12 cuboctahedra. All K–O bond lengths are 3.12 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Sr–O bond lengths are 2.78 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one N3+ atom.

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-19374

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; K-N-Ni-O-Sr; K2SrNi(NO2)6; crystal structure

OSTI Identifier:: 1194381

DOI:: https://doi.org/10.17188/1194381

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                    Materials Data on K2SrNi(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194381.

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                    Materials Data on K2SrNi(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194381

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                    2020.  
"Materials Data on K2SrNi(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194381.  https://www.osti.gov/servlets/purl/1194381. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1194381,

  title        = {Materials Data on K2SrNi(NO2)6 by Materials Project},

  
  abstractNote = {K2Sr(NO2)6Ni crystallizes in the cubic Fm-3 space group. The structure is three-dimensional and consists of four nickel molecules and one K2Sr(NO2)6 framework. In the K2Sr(NO2)6 framework, K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra and faces with four equivalent SrO12 cuboctahedra. All K–O bond lengths are 3.12 Å. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent KO12 cuboctahedra. All Sr–O bond lengths are 2.78 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sr2+, and one N3+ atom.},

  doi          = {10.17188/1194381},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194381

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