Materials Data on K2SnN6 by Materials Project

doi:10.17188/1705930

Title: Materials Data on K2SnN6 by Materials Project

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Abstract

K2SnN6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent N1- atoms to form KN12 cuboctahedra that share corners with twelve equivalent KN12 cuboctahedra, faces with six equivalent KN12 cuboctahedra, and faces with four equivalent SnN6 octahedra. There are six shorter (3.16 Å) and six longer (3.24 Å) K–N bond lengths. Sn4+ is bonded to six equivalent N1- atoms to form SnN6 octahedra that share faces with eight equivalent KN12 cuboctahedra. All Sn–N bond lengths are 2.17 Å. N1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1080457

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; K2SnN6; K-N-Sn

OSTI Identifier:: 1705930

DOI:: https://doi.org/10.17188/1705930

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                    The Materials Project. Materials Data on K2SnN6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705930.

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                    The Materials Project. Materials Data on K2SnN6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705930

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                    The Materials Project. 2020.  
"Materials Data on K2SnN6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705930.  https://www.osti.gov/servlets/purl/1705930. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1705930,

  title        = {Materials Data on K2SnN6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2SnN6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent N1- atoms to form KN12 cuboctahedra that share corners with twelve equivalent KN12 cuboctahedra, faces with six equivalent KN12 cuboctahedra, and faces with four equivalent SnN6 octahedra. There are six shorter (3.16 Å) and six longer (3.24 Å) K–N bond lengths. Sn4+ is bonded to six equivalent N1- atoms to form SnN6 octahedra that share faces with eight equivalent KN12 cuboctahedra. All Sn–N bond lengths are 2.17 Å. N1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Sn4+ atom.},

  doi          = {10.17188/1705930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705930

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