Materials Data on Sc(Fe2P)2 by Materials Project

doi:10.17188/1262843

Title: Materials Data on Sc(Fe2P)2 by Materials Project

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Abstract

Sc(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc is bonded to six equivalent P atoms to form a mixture of distorted edge and corner-sharing ScP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.73 Å) and four longer (2.78 Å) Sc–P bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are one shorter (2.24 Å) and two longer (2.29 Å) Fe–P bond lengths. P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-510133

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; Sc(Fe2P)2; Fe-P-Sc

OSTI Identifier:: 1262843

DOI:: https://doi.org/10.17188/1262843

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                    The Materials Project. Materials Data on Sc(Fe2P)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262843.

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                    The Materials Project. Materials Data on Sc(Fe2P)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262843

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                    The Materials Project. 2020.  
"Materials Data on Sc(Fe2P)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262843.  https://www.osti.gov/servlets/purl/1262843. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1262843,

  title        = {Materials Data on Sc(Fe2P)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc is bonded to six equivalent P atoms to form a mixture of distorted edge and corner-sharing ScP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.73 Å) and four longer (2.78 Å) Sc–P bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are one shorter (2.24 Å) and two longer (2.29 Å) Fe–P bond lengths. P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Fe atoms.},

  doi          = {10.17188/1262843},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262843

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