Materials Data on PrSe2 by Materials Project

doi:10.17188/1350426

Title: Materials Data on PrSe2 by Materials Project

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Abstract

PrSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.07–3.17 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Se2- atoms. All Se–Se bond lengths are 2.96 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-1018940

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; Pr-Se; PrSe2; crystal structure

OSTI Identifier:: 1350426

DOI:: https://doi.org/10.17188/1350426

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                    Materials Data on PrSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350426.

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                    Materials Data on PrSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350426

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                    2020.  
"Materials Data on PrSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350426.  https://www.osti.gov/servlets/purl/1350426. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1350426,

  title        = {Materials Data on PrSe2 by Materials Project},

  
  abstractNote = {PrSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.07–3.17 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Se2- atoms. All Se–Se bond lengths are 2.96 Å.},

  doi          = {10.17188/1350426},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1350426

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