Materials Data on Pr3BBr3 by Materials Project

doi:10.17188/1665686

Title: Materials Data on Pr3BBr3 by Materials Project

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Abstract

Pr3BBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent B and four equivalent Br atoms to form a mixture of edge and corner-sharing PrB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. Both Pr–B bond lengths are 2.75 Å. There are two shorter (3.06 Å) and two longer (3.17 Å) Pr–Br bond lengths. B is bonded to six equivalent Pr atoms to form edge-sharing BPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209395

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; Pr3BBr3; B-Br-Pr

OSTI Identifier:: 1665686

DOI:: https://doi.org/10.17188/1665686

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                    The Materials Project. Materials Data on Pr3BBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665686.

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                    The Materials Project. Materials Data on Pr3BBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665686

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                    The Materials Project. 2020.  
"Materials Data on Pr3BBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1665686.  https://www.osti.gov/servlets/purl/1665686. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1665686,

  title        = {Materials Data on Pr3BBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3BBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent B and four equivalent Br atoms to form a mixture of edge and corner-sharing PrB2Br4 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. Both Pr–B bond lengths are 2.75 Å. There are two shorter (3.06 Å) and two longer (3.17 Å) Pr–Br bond lengths. B is bonded to six equivalent Pr atoms to form edge-sharing BPr6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.},

  doi          = {10.17188/1665686},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1665686

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