Materials Data on Sc3P2 by Materials Project

doi:10.17188/1198814

Title: Materials Data on Sc3P2 by Materials Project

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Abstract

Sc3P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.61–2.75 Å. In the second Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.60–2.78 Å. In the third Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of distorted edge and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.65–3.00 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to seven Sc2+ atoms to form distorted edge-sharing PSc7 pentagonal bipyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-22600

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; Sc3P2; P-Sc

OSTI Identifier:: 1198814

DOI:: https://doi.org/10.17188/1198814

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                    The Materials Project. Materials Data on Sc3P2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198814.

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                    The Materials Project. Materials Data on Sc3P2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198814

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                    The Materials Project. 2020.  
"Materials Data on Sc3P2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198814.  https://www.osti.gov/servlets/purl/1198814. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1198814,

  title        = {Materials Data on Sc3P2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3P2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.61–2.75 Å. In the second Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of face, edge, and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.60–2.78 Å. In the third Sc2+ site, Sc2+ is bonded to five P3- atoms to form a mixture of distorted edge and corner-sharing ScP5 square pyramids. There are a spread of Sc–P bond distances ranging from 2.65–3.00 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to seven Sc2+ atoms to form distorted edge-sharing PSc7 pentagonal bipyramids. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms.},

  doi          = {10.17188/1198814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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