Materials Data on Mn5B2P by Materials Project

doi:10.17188/1189097

Title: Materials Data on Mn5B2P by Materials Project

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Abstract

Mn5B2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent B and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. There are two shorter (2.16 Å) and one longer (2.19 Å) Mn–B bond lengths. Both Mn–P bond lengths are 2.35 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to four equivalent B and two equivalent P atoms. All Mn–B bond lengths are 2.20 Å. Both Mn–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Mn and one B atom. The B–B bond length is 1.86 Å. P is bonded in a 10-coordinate geometry to ten Mn atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-12633

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; Mn5B2P; B-Mn-P

OSTI Identifier:: 1189097

DOI:: https://doi.org/10.17188/1189097

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                    The Materials Project. Materials Data on Mn5B2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189097.

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                    The Materials Project. Materials Data on Mn5B2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1189097

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                    The Materials Project. 2020.  
"Materials Data on Mn5B2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1189097.  https://www.osti.gov/servlets/purl/1189097. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1189097,

  title        = {Materials Data on Mn5B2P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn5B2P crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent B and two equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing MnB3P2 trigonal bipyramids. There are two shorter (2.16 Å) and one longer (2.19 Å) Mn–B bond lengths. Both Mn–P bond lengths are 2.35 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to four equivalent B and two equivalent P atoms. All Mn–B bond lengths are 2.20 Å. Both Mn–P bond lengths are 2.58 Å. B is bonded in a 9-coordinate geometry to eight Mn and one B atom. The B–B bond length is 1.86 Å. P is bonded in a 10-coordinate geometry to ten Mn atoms.},

  doi          = {10.17188/1189097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189097

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