Materials Data on Pr3MnBi5 by Materials Project

doi:10.17188/1275265

Title: Materials Data on Pr3MnBi5 by Materials Project

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Abstract

Pr3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Pr–Bi bond distances ranging from 3.25–3.65 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 to five equivalent Pr and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiPr5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.20 Å.

Authors:: The Materials Project

Publication Date:: Thu Jun 06 00:00:00 EDT 2019

Other Number(s):: mp-569791

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; Pr3MnBi5; Bi-Mn-Pr

OSTI Identifier:: 1275265

DOI:: https://doi.org/10.17188/1275265

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                    The Materials Project. Materials Data on Pr3MnBi5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1275265.

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                    The Materials Project. Materials Data on Pr3MnBi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275265

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                    The Materials Project. 2019.  
"Materials Data on Pr3MnBi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275265.  https://www.osti.gov/servlets/purl/1275265. Pub date:Thu Jun 06 00:00:00 EDT 2019

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@article{osti_1275265,

  title        = {Materials Data on Pr3MnBi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Pr–Bi bond distances ranging from 3.25–3.65 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 to five equivalent Pr and two equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing BiPr5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.20 Å.},

  doi          = {10.17188/1275265},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 06 00:00:00 EDT 2019},

  month        = {Thu Jun 06 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1275265

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