Materials Data on PrSiP3 by Materials Project

doi:10.17188/1747276

Title: Materials Data on PrSiP3 by Materials Project

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Abstract

PrSiP2P crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of eight phosphine molecules; eight praseodymium molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.20–2.26 Å. In the second Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.21–2.28 Å. There are four inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.

Publication Date:: 2020-05-01

Other Number(s):: mp-1200190

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; P-Pr-Si; PrSiP3; crystal structure

OSTI Identifier:: 1747276

DOI:: https://doi.org/10.17188/1747276

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                    Materials Data on PrSiP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747276.

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                    Materials Data on PrSiP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747276

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                    2020.  
"Materials Data on PrSiP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747276.  https://www.osti.gov/servlets/purl/1747276. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1747276,

  title        = {Materials Data on PrSiP3 by Materials Project},

  
  abstractNote = {PrSiP2P crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of eight phosphine molecules; eight praseodymium molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.20–2.26 Å. In the second Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.21–2.28 Å. There are four inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the fourth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.},

  doi          = {10.17188/1747276},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1747276

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