Materials Data on PrSe2 by Materials Project

doi:10.17188/1275581

Title: Materials Data on PrSe2 by Materials Project

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Abstract

PrSe2 crystallizes in the monoclinic P2_1/c 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 3.02–3.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one Se2- atom. The Se–Se bond length is 2.54 Å. In the second Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-570205

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; PrSe2; Pr-Se

OSTI Identifier:: 1275581

DOI:: https://doi.org/10.17188/1275581

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                    The Materials Project. Materials Data on PrSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275581.

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                    The Materials Project. Materials Data on PrSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275581

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                    The Materials Project. 2020.  
"Materials Data on PrSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275581.  https://www.osti.gov/servlets/purl/1275581. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1275581,

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

  author       = {The Materials Project},

  abstractNote = {PrSe2 crystallizes in the monoclinic P2_1/c 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 3.02–3.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one Se2- atom. The Se–Se bond length is 2.54 Å. In the second Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids.},

  doi          = {10.17188/1275581},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275581

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