Materials Data on Mn3Bi by Materials Project

doi:10.17188/1281578

Title: Materials Data on Mn3Bi by Materials Project

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Abstract

Mn3Bi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to four equivalent Mn and two equivalent Bi atoms. There are two shorter (2.81 Å) and two longer (2.95 Å) Mn–Mn bond lengths. Both Mn–Bi bond lengths are 2.90 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to eight Mn and three Bi atoms. There are two shorter (2.68 Å) and two longer (3.10 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.79–3.15 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mn atoms. In the second Bi site, Bi is bonded in a 12-coordinate geometry to twelve equivalent Mn and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.10 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-669332

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; Mn3Bi; Bi-Mn

OSTI Identifier:: 1281578

DOI:: https://doi.org/10.17188/1281578

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                    The Materials Project. Materials Data on Mn3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281578.

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                    The Materials Project. Materials Data on Mn3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1281578

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                    The Materials Project. 2020.  
"Materials Data on Mn3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1281578.  https://www.osti.gov/servlets/purl/1281578. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281578,

  title        = {Materials Data on Mn3Bi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3Bi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to four equivalent Mn and two equivalent Bi atoms. There are two shorter (2.81 Å) and two longer (2.95 Å) Mn–Mn bond lengths. Both Mn–Bi bond lengths are 2.90 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to eight Mn and three Bi atoms. There are two shorter (2.68 Å) and two longer (3.10 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.79–3.15 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mn atoms. In the second Bi site, Bi is bonded in a 12-coordinate geometry to twelve equivalent Mn and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.10 Å.},

  doi          = {10.17188/1281578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1281578

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