Materials Data on Zn(H2N)2 by Materials Project

doi:10.17188/1200196

Title: Materials Data on Zn(H2N)2 by Materials Project

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Abstract

Zn(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Zn(NH2)2 frameworks. Zn2+ is bonded to four N3- atoms to form corner-sharing ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.08 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Zn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in amore » single-bond geometry to one N3- atom.« less

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-24694

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; H-N-Zn; Zn(H2N)2; crystal structure

OSTI Identifier:: 1200196

DOI:: https://doi.org/10.17188/1200196

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                    Materials Data on Zn(H2N)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200196.

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                    Materials Data on Zn(H2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200196

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                    2020.  
"Materials Data on Zn(H2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200196.  https://www.osti.gov/servlets/purl/1200196. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1200196,

  title        = {Materials Data on Zn(H2N)2 by Materials Project},

  
  abstractNote = {Zn(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Zn(NH2)2 frameworks. Zn2+ is bonded to four N3- atoms to form corner-sharing ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.08 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Zn2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent H1+ atoms to form distorted corner-sharing NZn2H2 tetrahedra. Both N–H bond lengths are 1.02 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1200196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200196

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