Materials Data on Mn(NCl2)2 by Materials Project

doi:10.17188/1355269

Title: Materials Data on Mn(NCl2)2 by Materials Project

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Abstract

MnCl4N2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of four ammonia molecules and two MnCl4 sheets oriented in the (0, 0, 1) direction. In each MnCl4 sheet, Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.20 Å) and four longer (2.39 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Mn2+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-1025343

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; Cl-Mn-N; Mn(NCl2)2; crystal structure

OSTI Identifier:: 1355269

DOI:: https://doi.org/10.17188/1355269

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                    Materials Data on Mn(NCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355269.

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                    Materials Data on Mn(NCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355269

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                    2020.  
"Materials Data on Mn(NCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355269.  https://www.osti.gov/servlets/purl/1355269. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1355269,

  title        = {Materials Data on Mn(NCl2)2 by Materials Project},

  
  abstractNote = {MnCl4N2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of four ammonia molecules and two MnCl4 sheets oriented in the (0, 0, 1) direction. In each MnCl4 sheet, Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.20 Å) and four longer (2.39 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Mn2+ atom.},

  doi          = {10.17188/1355269},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355269

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