Materials Data on Ti4As3 by Materials Project

doi:10.17188/1273696

Title: Materials Data on Ti4As3 by Materials Project

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Abstract

Ti4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ti+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (2.59 Å) and three longer (2.74 Å) Ti–As bond lengths. As3- is bonded to eight equivalent Ti+2.25+ atoms to form a mixture of distorted face, edge, and corner-sharing AsTi8 hexagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-567082

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; Ti4As3; As-Ti

OSTI Identifier:: 1273696

DOI:: https://doi.org/10.17188/1273696

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                    The Materials Project. Materials Data on Ti4As3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273696.

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                    The Materials Project. Materials Data on Ti4As3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273696

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                    The Materials Project. 2020.  
"Materials Data on Ti4As3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273696.  https://www.osti.gov/servlets/purl/1273696. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1273696,

  title        = {Materials Data on Ti4As3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ti+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (2.59 Å) and three longer (2.74 Å) Ti–As bond lengths. As3- is bonded to eight equivalent Ti+2.25+ atoms to form a mixture of distorted face, edge, and corner-sharing AsTi8 hexagonal bipyramids.},

  doi          = {10.17188/1273696},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273696

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