Materials Data on Na2PrCuCl6 by Materials Project

doi:10.17188/1732310

Title: Materials Data on Na2PrCuCl6 by Materials Project

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Abstract

(Na)2PrCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one PrCuCl6 framework. In the PrCuCl6 framework, Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Pr3+ and one Cu1+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1113375

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; Cl-Cu-Na-Pr; Na2PrCuCl6; crystal structure

OSTI Identifier:: 1732310

DOI:: https://doi.org/10.17188/1732310

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                    Materials Data on Na2PrCuCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732310.

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                    Materials Data on Na2PrCuCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732310

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                    2020.  
"Materials Data on Na2PrCuCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732310.  https://www.osti.gov/servlets/purl/1732310. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1732310,

  title        = {Materials Data on Na2PrCuCl6 by Materials Project},

  
  abstractNote = {(Na)2PrCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one PrCuCl6 framework. In the PrCuCl6 framework, Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Pr3+ and one Cu1+ atom.},

  doi          = {10.17188/1732310},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732310

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