Materials Data on ReTc3 by Materials Project

doi:10.17188/1314509

Title: Materials Data on ReTc3 by Materials Project

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Abstract

ReTc3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re7+ is bonded to twelve equivalent Tc+2.33- atoms to form ReTc12 cuboctahedra that share corners with six equivalent ReTc12 cuboctahedra, corners with twelve equivalent TcRe4Tc8 cuboctahedra, edges with eighteen equivalent TcRe4Tc8 cuboctahedra, faces with eight equivalent ReTc12 cuboctahedra, and faces with twelve equivalent TcRe4Tc8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.76 Å) Re–Tc bond lengths. Tc+2.33- is bonded to four equivalent Re7+ and eight equivalent Tc+2.33- atoms to form TcRe4Tc8 cuboctahedra that share corners with four equivalent ReTc12 cuboctahedra, corners with fourteen equivalent TcRe4Tc8 cuboctahedra, edges with six equivalent ReTc12 cuboctahedra, edges with twelve equivalent TcRe4Tc8 cuboctahedra, faces with four equivalent ReTc12 cuboctahedra, and faces with sixteen equivalent TcRe4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.74–2.78 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-974492

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; ReTc3; Re-Tc

OSTI Identifier:: 1314509

DOI:: https://doi.org/10.17188/1314509

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                    The Materials Project. Materials Data on ReTc3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314509.

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                    The Materials Project. Materials Data on ReTc3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314509

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                    The Materials Project. 2020.  
"Materials Data on ReTc3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314509.  https://www.osti.gov/servlets/purl/1314509. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314509,

  title        = {Materials Data on ReTc3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReTc3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re7+ is bonded to twelve equivalent Tc+2.33- atoms to form ReTc12 cuboctahedra that share corners with six equivalent ReTc12 cuboctahedra, corners with twelve equivalent TcRe4Tc8 cuboctahedra, edges with eighteen equivalent TcRe4Tc8 cuboctahedra, faces with eight equivalent ReTc12 cuboctahedra, and faces with twelve equivalent TcRe4Tc8 cuboctahedra. There are six shorter (2.73 Å) and six longer (2.76 Å) Re–Tc bond lengths. Tc+2.33- is bonded to four equivalent Re7+ and eight equivalent Tc+2.33- atoms to form TcRe4Tc8 cuboctahedra that share corners with four equivalent ReTc12 cuboctahedra, corners with fourteen equivalent TcRe4Tc8 cuboctahedra, edges with six equivalent ReTc12 cuboctahedra, edges with twelve equivalent TcRe4Tc8 cuboctahedra, faces with four equivalent ReTc12 cuboctahedra, and faces with sixteen equivalent TcRe4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.74–2.78 Å.},

  doi          = {10.17188/1314509},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314509

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