Materials Data on Ti2ZnN2 by Materials Project

doi:10.17188/1320090

Title: Materials Data on Ti2ZnN2 by Materials Project

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Abstract

Ti2ZnN2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ti2ZnN2 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Ti–N bond lengths are 1.90 Å. Zn2+ is bonded to four equivalent N3- atoms to form corner-sharing ZnN4 tetrahedra. All Zn–N bond lengths are 2.04 Å. N3- is bonded to two equivalent Ti2+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mvc-2158

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; Ti2ZnN2; N-Ti-Zn

OSTI Identifier:: 1320090

DOI:: https://doi.org/10.17188/1320090

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                    The Materials Project. Materials Data on Ti2ZnN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320090.

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                    The Materials Project. Materials Data on Ti2ZnN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320090

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                    The Materials Project. 2020.  
"Materials Data on Ti2ZnN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320090.  https://www.osti.gov/servlets/purl/1320090. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1320090,

  title        = {Materials Data on Ti2ZnN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2ZnN2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ti2ZnN2 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Ti–N bond lengths are 1.90 Å. Zn2+ is bonded to four equivalent N3- atoms to form corner-sharing ZnN4 tetrahedra. All Zn–N bond lengths are 2.04 Å. N3- is bonded to two equivalent Ti2+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra.},

  doi          = {10.17188/1320090},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1320090

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