Materials Data on NbInRu by Materials Project

doi:10.17188/1354942

Title: Materials Data on NbInRu by Materials Project

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Abstract

NbRuIn is half-Heusler structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Nb is bonded to four equivalent Ru and six equivalent In atoms to form distorted NbIn6Ru4 tetrahedra that share corners with four equivalent InNb6Ru4 tetrahedra, corners with six equivalent NbIn6Ru4 tetrahedra, edges with six equivalent InNb6Ru4 tetrahedra, and faces with twelve equivalent NbIn6Ru4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Nb–Ru bond lengths. There are four shorter (3.13 Å) and two longer (3.14 Å) Nb–In bond lengths. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent In atoms. All Ru–In bond lengths are 2.71 Å. In is bonded to six equivalent Nb and four equivalent Ru atoms to form distorted InNb6Ru4 tetrahedra that share corners with four equivalent NbIn6Ru4 tetrahedra, corners with six equivalent InNb6Ru4 tetrahedra, edges with six equivalent NbIn6Ru4 tetrahedra, and faces with twelve equivalent InNb6Ru4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1021660

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; NbInRu; In-Nb-Ru

OSTI Identifier:: 1354942

DOI:: https://doi.org/10.17188/1354942

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                    The Materials Project. Materials Data on NbInRu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1354942.

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                    The Materials Project. Materials Data on NbInRu by Materials Project.  United States.  doi:https://doi.org/10.17188/1354942

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                    The Materials Project. 2020.  
"Materials Data on NbInRu by Materials Project".  United States.  doi:https://doi.org/10.17188/1354942.  https://www.osti.gov/servlets/purl/1354942. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1354942,

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

  author       = {The Materials Project},

  abstractNote = {NbRuIn is half-Heusler structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Nb is bonded to four equivalent Ru and six equivalent In atoms to form distorted NbIn6Ru4 tetrahedra that share corners with four equivalent InNb6Ru4 tetrahedra, corners with six equivalent NbIn6Ru4 tetrahedra, edges with six equivalent InNb6Ru4 tetrahedra, and faces with twelve equivalent NbIn6Ru4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Nb–Ru bond lengths. There are four shorter (3.13 Å) and two longer (3.14 Å) Nb–In bond lengths. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent In atoms. All Ru–In bond lengths are 2.71 Å. In is bonded to six equivalent Nb and four equivalent Ru atoms to form distorted InNb6Ru4 tetrahedra that share corners with four equivalent NbIn6Ru4 tetrahedra, corners with six equivalent InNb6Ru4 tetrahedra, edges with six equivalent NbIn6Ru4 tetrahedra, and faces with twelve equivalent InNb6Ru4 tetrahedra.},

  doi          = {10.17188/1354942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1354942

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