Materials Data on Pr3IrBr3 by Materials Project

doi:10.17188/1681683

Title: Materials Data on Pr3IrBr3 by Materials Project

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Abstract

Pr3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing PrIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Ir bond lengths are 2.86 Å. There are two shorter (3.13 Å) and two longer (3.26 Å) Pr–Br bond lengths. Ir is bonded to six equivalent Pr atoms to form edge-sharing IrPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1209858

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; Pr3IrBr3; Br-Ir-Pr

OSTI Identifier:: 1681683

DOI:: https://doi.org/10.17188/1681683

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                    The Materials Project. Materials Data on Pr3IrBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681683.

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                    The Materials Project. Materials Data on Pr3IrBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681683

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                    The Materials Project. 2020.  
"Materials Data on Pr3IrBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681683.  https://www.osti.gov/servlets/purl/1681683. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1681683,

  title        = {Materials Data on Pr3IrBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3IrBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Ir and four equivalent Br atoms to form a mixture of edge and corner-sharing PrIr2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. Both Pr–Ir bond lengths are 2.86 Å. There are two shorter (3.13 Å) and two longer (3.26 Å) Pr–Br bond lengths. Ir is bonded to six equivalent Pr atoms to form edge-sharing IrPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.},

  doi          = {10.17188/1681683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1681683

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