Materials Data on Sc7P3 by Materials Project

doi:10.17188/1707546

Title: Materials Data on Sc7P3 by Materials Project

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Abstract

Sc7P3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent P atoms. All Sc–P bond lengths are 2.66 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to four equivalent P atoms. There are two shorter (2.71 Å) and two longer (3.05 Å) Sc–P bond lengths. In the third Sc site, Sc is bonded in a distorted T-shaped geometry to three equivalent P atoms. There are two shorter (2.64 Å) and one longer (2.71 Å) Sc–P bond lengths. P is bonded in a 6-coordinate geometry to eight Sc atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1105778

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; Sc7P3; P-Sc

OSTI Identifier:: 1707546

DOI:: https://doi.org/10.17188/1707546

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                    The Materials Project. Materials Data on Sc7P3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707546.

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                    The Materials Project. Materials Data on Sc7P3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707546

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                    The Materials Project. 2020.  
"Materials Data on Sc7P3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707546.  https://www.osti.gov/servlets/purl/1707546. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707546,

  title        = {Materials Data on Sc7P3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc7P3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent P atoms. All Sc–P bond lengths are 2.66 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to four equivalent P atoms. There are two shorter (2.71 Å) and two longer (3.05 Å) Sc–P bond lengths. In the third Sc site, Sc is bonded in a distorted T-shaped geometry to three equivalent P atoms. There are two shorter (2.64 Å) and one longer (2.71 Å) Sc–P bond lengths. P is bonded in a 6-coordinate geometry to eight Sc atoms.},

  doi          = {10.17188/1707546},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707546

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