Materials Data on Ta5Al3C by Materials Project

doi:10.17188/1744191

Title: Materials Data on Ta5Al3C by Materials Project

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Abstract

Ta5Al3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to five equivalent Al and two equivalent C atoms. There are a spread of Ta–Al bond distances ranging from 2.76–3.01 Å. Both Ta–C bond lengths are 2.25 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. Both Ta–Ta bond lengths are 2.68 Å. All Ta–Al bond lengths are 2.72 Å. Al is bonded in a 9-coordinate geometry to nine Ta atoms. C is bonded to six equivalent Ta atoms to form face-sharing CTa6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1208344

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; Ta5Al3C; Al-C-Ta

OSTI Identifier:: 1744191

DOI:: https://doi.org/10.17188/1744191

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                    The Materials Project. Materials Data on Ta5Al3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744191.

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                    The Materials Project. Materials Data on Ta5Al3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1744191

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                    The Materials Project. 2020.  
"Materials Data on Ta5Al3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1744191.  https://www.osti.gov/servlets/purl/1744191. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1744191,

  title        = {Materials Data on Ta5Al3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta5Al3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to five equivalent Al and two equivalent C atoms. There are a spread of Ta–Al bond distances ranging from 2.76–3.01 Å. Both Ta–C bond lengths are 2.25 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to two equivalent Ta and six equivalent Al atoms. Both Ta–Ta bond lengths are 2.68 Å. All Ta–Al bond lengths are 2.72 Å. Al is bonded in a 9-coordinate geometry to nine Ta atoms. C is bonded to six equivalent Ta atoms to form face-sharing CTa6 octahedra.},

  doi          = {10.17188/1744191},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1744191

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