Materials Data on Mn3B4 by Materials Project

doi:10.17188/1186102

Title: Materials Data on Mn3B4 by Materials Project

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Abstract

Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10118

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; Mn3B4; B-Mn

OSTI Identifier:: 1186102

DOI:: https://doi.org/10.17188/1186102

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                    The Materials Project. Materials Data on Mn3B4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186102.

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                    The Materials Project. Materials Data on Mn3B4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186102

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                    The Materials Project. 2020.  
"Materials Data on Mn3B4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186102.  https://www.osti.gov/servlets/purl/1186102. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186102,

  title        = {Materials Data on Mn3B4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.},

  doi          = {10.17188/1186102},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1186102

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