Materials Data on MnH8(N2Cl)2 by Materials Project

doi:10.17188/1285017

Title: Materials Data on MnH8(N2Cl)2 by Materials Project

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Abstract

MnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two MnH8(N2Cl)2 clusters. Mn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Mn–N bond lengths are 2.30 Å. Both Mn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-696616

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; MnH8(N2Cl)2; Cl-H-Mn-N

OSTI Identifier:: 1285017

DOI:: https://doi.org/10.17188/1285017

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                    The Materials Project. Materials Data on MnH8(N2Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285017.

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                    The Materials Project. Materials Data on MnH8(N2Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285017

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                    The Materials Project. 2020.  
"Materials Data on MnH8(N2Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285017.  https://www.osti.gov/servlets/purl/1285017. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1285017,

  title        = {Materials Data on MnH8(N2Cl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two MnH8(N2Cl)2 clusters. Mn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Mn–N bond lengths are 2.30 Å. Both Mn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.},

  doi          = {10.17188/1285017},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1285017

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