Materials Data on PrSI by Materials Project

doi:10.17188/1711239

Title: Materials Data on PrSI by Materials Project

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Abstract

PrSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. All Pr–S bond lengths are 2.86 Å. There are a spread of Pr–I bond distances ranging from 3.28–3.49 Å. S2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing SPr4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1209328

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; PrSI; I-Pr-S

OSTI Identifier:: 1711239

DOI:: https://doi.org/10.17188/1711239

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                    The Materials Project. Materials Data on PrSI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711239.

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                    The Materials Project. Materials Data on PrSI by Materials Project.  United States.  doi:https://doi.org/10.17188/1711239

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                    The Materials Project. 2020.  
"Materials Data on PrSI by Materials Project".  United States.  doi:https://doi.org/10.17188/1711239.  https://www.osti.gov/servlets/purl/1711239. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711239,

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

  author       = {The Materials Project},

  abstractNote = {PrSI crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. All Pr–S bond lengths are 2.86 Å. There are a spread of Pr–I bond distances ranging from 3.28–3.49 Å. S2- is bonded to four equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing SPr4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.},

  doi          = {10.17188/1711239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711239

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