Materials Data on TiAlAu by Materials Project

doi:10.17188/1191893

Title: Materials Data on TiAlAu by Materials Project

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Abstract

TiAlAu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Au, and six equivalent Al atoms. Both Ti–Ti bond lengths are 2.88 Å. All Ti–Au bond lengths are 2.95 Å. All Ti–Al bond lengths are 2.95 Å. Au is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Al atoms. There are three shorter (2.58 Å) and two longer (2.88 Å) Au–Al bond lengths. Al is bonded to six equivalent Ti and five equivalent Au atoms to form a mixture of distorted corner and face-sharing AlTi6Au5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-16481

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; TiAlAu; Al-Au-Ti

OSTI Identifier:: 1191893

DOI:: https://doi.org/10.17188/1191893

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                    The Materials Project. Materials Data on TiAlAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191893.

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                    The Materials Project. Materials Data on TiAlAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1191893

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                    The Materials Project. 2020.  
"Materials Data on TiAlAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1191893.  https://www.osti.gov/servlets/purl/1191893. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191893,

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

  author       = {The Materials Project},

  abstractNote = {TiAlAu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Au, and six equivalent Al atoms. Both Ti–Ti bond lengths are 2.88 Å. All Ti–Au bond lengths are 2.95 Å. All Ti–Al bond lengths are 2.95 Å. Au is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Al atoms. There are three shorter (2.58 Å) and two longer (2.88 Å) Au–Al bond lengths. Al is bonded to six equivalent Ti and five equivalent Au atoms to form a mixture of distorted corner and face-sharing AlTi6Au5 trigonal bipyramids.},

  doi          = {10.17188/1191893},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191893

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