Materials Data on PrSF by Materials Project

doi:10.17188/1207709

Title: Materials Data on PrSF by Materials Project

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Abstract

PrSF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.93 Å) and four longer (2.95 Å) Pr–S bond lengths. All Pr–F bond lengths are 2.57 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ and four equivalent F1- atoms. All S–F bond lengths are 3.18 Å. F1- is bonded to four equivalent Pr3+ and four equivalent S2- atoms to form a mixture of distorted edge and face-sharing FPr4S4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-3992

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; PrSF; F-Pr-S

OSTI Identifier:: 1207709

DOI:: https://doi.org/10.17188/1207709

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                    The Materials Project. Materials Data on PrSF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207709.

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                    The Materials Project. Materials Data on PrSF by Materials Project.  United States.  doi:https://doi.org/10.17188/1207709

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                    The Materials Project. 2020.  
"Materials Data on PrSF by Materials Project".  United States.  doi:https://doi.org/10.17188/1207709.  https://www.osti.gov/servlets/purl/1207709. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207709,

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

  author       = {The Materials Project},

  abstractNote = {PrSF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent F1- atoms. There are one shorter (2.93 Å) and four longer (2.95 Å) Pr–S bond lengths. All Pr–F bond lengths are 2.57 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Pr3+ and four equivalent F1- atoms. All S–F bond lengths are 3.18 Å. F1- is bonded to four equivalent Pr3+ and four equivalent S2- atoms to form a mixture of distorted edge and face-sharing FPr4S4 tetrahedra.},

  doi          = {10.17188/1207709},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207709

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