Materials Data on Ta2InC by Materials Project

doi:10.17188/1197373

Title: Materials Data on Ta2InC by Materials Project

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Abstract

Ta2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ta–In bond lengths are 3.04 Å. All Ta–C bond lengths are 2.19 Å. In is bonded to six equivalent Ta and six equivalent In atoms to form distorted InTa6In6 cuboctahedra that share corners with six equivalent InTa6In6 cuboctahedra, corners with six equivalent CTa6 octahedra, edges with six equivalent InTa6In6 cuboctahedra, edges with six equivalent CTa6 octahedra, and faces with six equivalent InTa6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.17 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent InTa6In6 cuboctahedra, edges with six equivalent InTa6In6 cuboctahedra, and edges with six equivalent CTa6 octahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-22144

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; Ta2InC; C-In-Ta

OSTI Identifier:: 1197373

DOI:: https://doi.org/10.17188/1197373

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                    The Materials Project. Materials Data on Ta2InC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197373.

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                    The Materials Project. Materials Data on Ta2InC by Materials Project.  United States.  doi:https://doi.org/10.17188/1197373

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                    The Materials Project. 2020.  
"Materials Data on Ta2InC by Materials Project".  United States.  doi:https://doi.org/10.17188/1197373.  https://www.osti.gov/servlets/purl/1197373. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1197373,

  title        = {Materials Data on Ta2InC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ta–In bond lengths are 3.04 Å. All Ta–C bond lengths are 2.19 Å. In is bonded to six equivalent Ta and six equivalent In atoms to form distorted InTa6In6 cuboctahedra that share corners with six equivalent InTa6In6 cuboctahedra, corners with six equivalent CTa6 octahedra, edges with six equivalent InTa6In6 cuboctahedra, edges with six equivalent CTa6 octahedra, and faces with six equivalent InTa6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.17 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent InTa6In6 cuboctahedra, edges with six equivalent InTa6In6 cuboctahedra, and edges with six equivalent CTa6 octahedra.},

  doi          = {10.17188/1197373},

  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/10.17188/1197373

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