Materials Data on TcRu3 by Materials Project

doi:10.17188/1312021

Title: Materials Data on TcRu3 by Materials Project

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Abstract

TcRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ru atoms to form TcRu12 cuboctahedra that share corners with six equivalent TcRu12 cuboctahedra, corners with twelve equivalent RuTc4Ru8 cuboctahedra, edges with eighteen equivalent RuTc4Ru8 cuboctahedra, faces with eight equivalent TcRu12 cuboctahedra, and faces with twelve equivalent RuTc4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Tc–Ru bond lengths. Ru is bonded to four equivalent Tc and eight equivalent Ru atoms to form distorted RuTc4Ru8 cuboctahedra that share corners with four equivalent TcRu12 cuboctahedra, corners with fourteen equivalent RuTc4Ru8 cuboctahedra, edges with six equivalent TcRu12 cuboctahedra, edges with twelve equivalent RuTc4Ru8 cuboctahedra, faces with four equivalent TcRu12 cuboctahedra, and faces with sixteen equivalent RuTc4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-867356

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; TcRu3; Ru-Tc

OSTI Identifier:: 1312021

DOI:: https://doi.org/10.17188/1312021

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                    The Materials Project. Materials Data on TcRu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312021.

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                    The Materials Project. Materials Data on TcRu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312021

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                    The Materials Project. 2020.  
"Materials Data on TcRu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312021.  https://www.osti.gov/servlets/purl/1312021. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1312021,

  title        = {Materials Data on TcRu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TcRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ru atoms to form TcRu12 cuboctahedra that share corners with six equivalent TcRu12 cuboctahedra, corners with twelve equivalent RuTc4Ru8 cuboctahedra, edges with eighteen equivalent RuTc4Ru8 cuboctahedra, faces with eight equivalent TcRu12 cuboctahedra, and faces with twelve equivalent RuTc4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Tc–Ru bond lengths. Ru is bonded to four equivalent Tc and eight equivalent Ru atoms to form distorted RuTc4Ru8 cuboctahedra that share corners with four equivalent TcRu12 cuboctahedra, corners with fourteen equivalent RuTc4Ru8 cuboctahedra, edges with six equivalent TcRu12 cuboctahedra, edges with twelve equivalent RuTc4Ru8 cuboctahedra, faces with four equivalent TcRu12 cuboctahedra, and faces with sixteen equivalent RuTc4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.68–2.75 Å.},

  doi          = {10.17188/1312021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1312021

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