Materials Data on Zr(MnSn)6 by Materials Project

doi:10.17188/1298470

Title: Materials Data on Zr(MnSn)6 by Materials Project

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Abstract

ZrMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Sn atoms to form distorted edge-sharing ZrSn8 hexagonal bipyramids. There are two shorter (2.94 Å) and six longer (3.12 Å) Zr–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Zr and six equivalent Mn atoms.

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

Other Number(s):: mp-768613

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; Mn-Sn-Zr; Zr(MnSn)6; crystal structure

OSTI Identifier:: 1298470

DOI:: https://doi.org/10.17188/1298470

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                    Materials Data on Zr(MnSn)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298470.

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                    Materials Data on Zr(MnSn)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298470

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                    2020.  
"Materials Data on Zr(MnSn)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298470.  https://www.osti.gov/servlets/purl/1298470. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1298470,

  title        = {Materials Data on Zr(MnSn)6 by Materials Project},

  
  abstractNote = {ZrMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Sn atoms to form distorted edge-sharing ZrSn8 hexagonal bipyramids. There are two shorter (2.94 Å) and six longer (3.12 Å) Zr–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.72–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Zr and six equivalent Mn atoms.},

  doi          = {10.17188/1298470},

  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/10.17188/1298470

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