Materials Data on Nd3MnBi5 by Materials Project

doi:10.17188/1275177

Title: Materials Data on Nd3MnBi5 by Materials Project

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Abstract

Nd3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Nd–Bi bond distances ranging from 3.24–3.60 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Nd and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.18 Å. In the second Bi site, Bi is bonded to five equivalent Nd and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiNd5Mn2 pentagonal bipyramids.

Publication Date:: 2019-06-04

Other Number(s):: mp-569606

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; Bi-Mn-Nd; Nd3MnBi5; crystal structure

OSTI Identifier:: 1275177

DOI:: https://doi.org/10.17188/1275177

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                    Materials Data on Nd3MnBi5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1275177.

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                    Materials Data on Nd3MnBi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275177

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                    2019.  
"Materials Data on Nd3MnBi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275177.  https://www.osti.gov/servlets/purl/1275177. Pub date:Tue Jun 04 00:00:00 EDT 2019

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@article{osti_1275177,

  title        = {Materials Data on Nd3MnBi5 by Materials Project},

  
  abstractNote = {Nd3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Nd–Bi bond distances ranging from 3.24–3.60 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.95 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Nd and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.18 Å. In the second Bi site, Bi is bonded to five equivalent Nd and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiNd5Mn2 pentagonal bipyramids.},

  doi          = {10.17188/1275177},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1275177

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