Materials Data on Nd(BRu)2 by Materials Project

doi:10.17188/1733155

Title: Materials Data on Nd(BRu)2 by Materials Project

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Abstract

Nd(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent B3- atoms to form distorted NdB6 octahedra that share corners with four equivalent NdB6 octahedra, corners with twelve equivalent RuB4 tetrahedra, edges with four equivalent NdB6 octahedra, and edges with six equivalent RuB4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.90 Å) and four longer (3.06 Å) Nd–B bond lengths. Ru2+ is bonded to four equivalent B3- atoms to form distorted RuB4 tetrahedra that share corners with six equivalent NdB6 octahedra, corners with six equivalent RuB4 tetrahedra, edges with three equivalent NdB6 octahedra, and edges with three equivalent RuB4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–95°. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B3- is bonded in a 7-coordinate geometry to three equivalent Nd2+ and four equivalent Ru2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1079388

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; Nd(BRu)2; B-Nd-Ru

OSTI Identifier:: 1733155

DOI:: https://doi.org/10.17188/1733155

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                    The Materials Project. Materials Data on Nd(BRu)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733155.

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                    The Materials Project. Materials Data on Nd(BRu)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733155

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                    The Materials Project. 2020.  
"Materials Data on Nd(BRu)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733155.  https://www.osti.gov/servlets/purl/1733155. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1733155,

  title        = {Materials Data on Nd(BRu)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd(RuB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent B3- atoms to form distorted NdB6 octahedra that share corners with four equivalent NdB6 octahedra, corners with twelve equivalent RuB4 tetrahedra, edges with four equivalent NdB6 octahedra, and edges with six equivalent RuB4 tetrahedra. The corner-sharing octahedral tilt angles are 23°. There are two shorter (2.90 Å) and four longer (3.06 Å) Nd–B bond lengths. Ru2+ is bonded to four equivalent B3- atoms to form distorted RuB4 tetrahedra that share corners with six equivalent NdB6 octahedra, corners with six equivalent RuB4 tetrahedra, edges with three equivalent NdB6 octahedra, and edges with three equivalent RuB4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–95°. There are two shorter (2.09 Å) and two longer (2.16 Å) Ru–B bond lengths. B3- is bonded in a 7-coordinate geometry to three equivalent Nd2+ and four equivalent Ru2+ atoms.},

  doi          = {10.17188/1733155},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733155

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