Materials Data on Ti3Ni4 by Materials Project

doi:10.17188/1273976

Title: Materials Data on Ti3Ni4 by Materials Project

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Abstract

Ni4Ti3 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.44–2.72 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Ti and eight Ni atoms. There are two shorter (2.52 Å) and six longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Ti and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven equivalent Ti and one Ni atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-567653

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; Ti3Ni4; Ni-Ti

OSTI Identifier:: 1273976

DOI:: https://doi.org/10.17188/1273976

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                    The Materials Project. Materials Data on Ti3Ni4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273976.

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                    The Materials Project. Materials Data on Ti3Ni4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273976

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                    The Materials Project. 2020.  
"Materials Data on Ti3Ni4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273976.  https://www.osti.gov/servlets/purl/1273976. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1273976,

  title        = {Materials Data on Ti3Ni4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni4Ti3 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.44–2.72 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Ti and eight Ni atoms. There are two shorter (2.52 Å) and six longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Ti and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven equivalent Ti and one Ni atom.},

  doi          = {10.17188/1273976},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273976

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