Materials Data on TiRu3 by Materials Project

doi:10.17188/1317433

Title: Materials Data on TiRu3 by Materials Project

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Abstract

TiRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ru atoms to form TiRu12 cuboctahedra that share corners with twelve equivalent TiRu12 cuboctahedra, edges with twenty-four equivalent RuTi4Ru8 cuboctahedra, faces with six equivalent TiRu12 cuboctahedra, and faces with twelve equivalent RuTi4Ru8 cuboctahedra. All Ti–Ru bond lengths are 2.73 Å. Ru is bonded to four equivalent Ti and eight equivalent Ru atoms to form distorted RuTi4Ru8 cuboctahedra that share corners with twelve equivalent RuTi4Ru8 cuboctahedra, edges with eight equivalent TiRu12 cuboctahedra, edges with sixteen equivalent RuTi4Ru8 cuboctahedra, faces with four equivalent TiRu12 cuboctahedra, and faces with fourteen equivalent RuTi4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-998947

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; TiRu3; Ru-Ti

OSTI Identifier:: 1317433

DOI:: https://doi.org/10.17188/1317433

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                    The Materials Project. Materials Data on TiRu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317433.

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                    The Materials Project. Materials Data on TiRu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317433

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                    The Materials Project. 2020.  
"Materials Data on TiRu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317433.  https://www.osti.gov/servlets/purl/1317433. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1317433,

  title        = {Materials Data on TiRu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Ru atoms to form TiRu12 cuboctahedra that share corners with twelve equivalent TiRu12 cuboctahedra, edges with twenty-four equivalent RuTi4Ru8 cuboctahedra, faces with six equivalent TiRu12 cuboctahedra, and faces with twelve equivalent RuTi4Ru8 cuboctahedra. All Ti–Ru bond lengths are 2.73 Å. Ru is bonded to four equivalent Ti and eight equivalent Ru atoms to form distorted RuTi4Ru8 cuboctahedra that share corners with twelve equivalent RuTi4Ru8 cuboctahedra, edges with eight equivalent TiRu12 cuboctahedra, edges with sixteen equivalent RuTi4Ru8 cuboctahedra, faces with four equivalent TiRu12 cuboctahedra, and faces with fourteen equivalent RuTi4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å.},

  doi          = {10.17188/1317433},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317433

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