Materials Data on Ti2InNi2 by Materials Project

doi:10.17188/1195461

Title: Materials Data on Ti2InNi2 by Materials Project

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Abstract

Ti2Ni2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.54 Å) and two longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.00 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.58 Å) and four longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.07 Å. Ni is bonded in a 10-coordinate geometry to six Ti, two equivalent Ni, and two equivalent In atoms. There are one shorter (2.49 Å) and one longer (2.75 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.75 Å. In is bonded in a 12-coordinate geometry to eight Ti, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.12 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-20339

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; Ti2InNi2; In-Ni-Ti

OSTI Identifier:: 1195461

DOI:: https://doi.org/10.17188/1195461

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                    The Materials Project. Materials Data on Ti2InNi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195461.

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                    The Materials Project. Materials Data on Ti2InNi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195461

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                    The Materials Project. 2020.  
"Materials Data on Ti2InNi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195461.  https://www.osti.gov/servlets/purl/1195461. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195461,

  title        = {Materials Data on Ti2InNi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Ni2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.54 Å) and two longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.00 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.58 Å) and four longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.07 Å. Ni is bonded in a 10-coordinate geometry to six Ti, two equivalent Ni, and two equivalent In atoms. There are one shorter (2.49 Å) and one longer (2.75 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.75 Å. In is bonded in a 12-coordinate geometry to eight Ti, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.12 Å.},

  doi          = {10.17188/1195461},

  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/10.17188/1195461

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