Materials Data on NdBRh3 by Materials Project

doi:10.17188/1207099

Title: Materials Data on NdBRh3 by Materials Project

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Abstract

NdRh3B1.000 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Rh atoms to form NdRh12 cuboctahedra that share corners with twelve equivalent NdRh12 cuboctahedra, faces with six equivalent NdRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Nd–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Nd and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhNd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.13 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent NdRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-3591

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; NdBRh3; B-Nd-Rh

OSTI Identifier:: 1207099

DOI:: https://doi.org/10.17188/1207099

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                    The Materials Project. Materials Data on NdBRh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207099.

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                    The Materials Project. Materials Data on NdBRh3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207099

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                    The Materials Project. 2020.  
"Materials Data on NdBRh3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207099.  https://www.osti.gov/servlets/purl/1207099. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207099,

  title        = {Materials Data on NdBRh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdRh3B1.000 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Rh atoms to form NdRh12 cuboctahedra that share corners with twelve equivalent NdRh12 cuboctahedra, faces with six equivalent NdRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Nd–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Nd and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhNd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.13 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent NdRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1207099},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207099

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