Materials Data on Mg(H2N)2 by Materials Project

doi:10.17188/1200066

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

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Abstract

Mg(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Mg(NH2)2 frameworks. Mg2+ is bonded to four N3- atoms to form corner-sharing MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 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 inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-24383

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; Mg(H2N)2; H-Mg-N

OSTI Identifier:: 1200066

DOI:: https://doi.org/10.17188/1200066

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                    The Materials Project. Materials Data on Mg(H2N)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200066.

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                    The Materials Project. Materials Data on Mg(H2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200066

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                    The Materials Project. 2020.  
"Materials Data on Mg(H2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200066.  https://www.osti.gov/servlets/purl/1200066. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1200066,

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

  author       = {The Materials Project},

  abstractNote = {Mg(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Mg(NH2)2 frameworks. Mg2+ is bonded to four N3- atoms to form corner-sharing MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 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          = {10.17188/1200066},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1200066

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