Materials Data on Y2PS by Materials Project

doi:10.17188/1744370

Title: Materials Data on Y2PS by Materials Project

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Abstract

Y2PS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded to three equivalent P and three equivalent S atoms to form a mixture of corner and edge-sharing YP3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–P bond lengths are 2.78 Å. All Y–S bond lengths are 2.84 Å. P is bonded to six equivalent Y atoms to form PY6 octahedra that share corners with six equivalent SY6 octahedra, edges with six equivalent PY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 2°. S is bonded to six equivalent Y atoms to form SY6 octahedra that share corners with six equivalent PY6 octahedra, edges with six equivalent PY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 2°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1216056

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; Y2PS; P-S-Y

OSTI Identifier:: 1744370

DOI:: https://doi.org/10.17188/1744370

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                    The Materials Project. Materials Data on Y2PS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744370.

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                    The Materials Project. Materials Data on Y2PS by Materials Project.  United States.  doi:https://doi.org/10.17188/1744370

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                    The Materials Project. 2020.  
"Materials Data on Y2PS by Materials Project".  United States.  doi:https://doi.org/10.17188/1744370.  https://www.osti.gov/servlets/purl/1744370. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744370,

  title        = {Materials Data on Y2PS by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2PS is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded to three equivalent P and three equivalent S atoms to form a mixture of corner and edge-sharing YP3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–P bond lengths are 2.78 Å. All Y–S bond lengths are 2.84 Å. P is bonded to six equivalent Y atoms to form PY6 octahedra that share corners with six equivalent SY6 octahedra, edges with six equivalent PY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 2°. S is bonded to six equivalent Y atoms to form SY6 octahedra that share corners with six equivalent PY6 octahedra, edges with six equivalent PY6 octahedra, and edges with six equivalent SY6 octahedra. The corner-sharing octahedral tilt angles are 2°.},

  doi          = {10.17188/1744370},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744370

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