Materials Data on Mn2AsP by Materials Project

doi:10.17188/1684589

Title: Materials Data on Mn2AsP by Materials Project

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Abstract

Mn2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to two equivalent As3- and four equivalent P1- atoms to form a mixture of distorted edge, face, and corner-sharing MnAs2P4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.36 Å) and one longer (2.45 Å) Mn–As bond lengths. There are two shorter (2.38 Å) and two longer (2.39 Å) Mn–P bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to four equivalent As3- and two equivalent P1- atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Mn–As bond lengths. There are one shorter (2.26 Å) and one longer (2.60 Å) Mn–P bond lengths. As3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. P1- is bonded in a 6-coordinate geometry to six Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221923

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; Mn2AsP; As-Mn-P

OSTI Identifier:: 1684589

DOI:: https://doi.org/10.17188/1684589

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                    The Materials Project. Materials Data on Mn2AsP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684589.

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                    The Materials Project. Materials Data on Mn2AsP by Materials Project.  United States.  doi:https://doi.org/10.17188/1684589

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                    The Materials Project. 2020.  
"Materials Data on Mn2AsP by Materials Project".  United States.  doi:https://doi.org/10.17188/1684589.  https://www.osti.gov/servlets/purl/1684589. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1684589,

  title        = {Materials Data on Mn2AsP by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2AsP is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to two equivalent As3- and four equivalent P1- atoms to form a mixture of distorted edge, face, and corner-sharing MnAs2P4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are one shorter (2.36 Å) and one longer (2.45 Å) Mn–As bond lengths. There are two shorter (2.38 Å) and two longer (2.39 Å) Mn–P bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to four equivalent As3- and two equivalent P1- atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Mn–As bond lengths. There are one shorter (2.26 Å) and one longer (2.60 Å) Mn–P bond lengths. As3- is bonded in a 6-coordinate geometry to six Mn2+ atoms. P1- is bonded in a 6-coordinate geometry to six Mn2+ atoms.},

  doi          = {10.17188/1684589},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684589

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