Materials Data on Ti4Co5Ni by Materials Project

doi:10.17188/1743614

Title: Materials Data on Ti4Co5Ni by Materials Project

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Abstract

Ti4Co5Ni crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to eight Co and one Ni atom. There are four shorter (2.48 Å) and four longer (2.65 Å) Ti–Co bond lengths. The Ti–Ni bond length is 2.56 Å. In the second Ti site, Ti is bonded in a body-centered cubic geometry to eight Co atoms. There are four shorter (2.55 Å) and four longer (2.60 Å) Ti–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ni atoms. All Co–Ni bond lengths are 2.51 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ti atoms. In the third Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ni is bonded in a distorted q6 geometry to two equivalent Ti and eight equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217224

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; Ti4Co5Ni; Co-Ni-Ti

OSTI Identifier:: 1743614

DOI:: https://doi.org/10.17188/1743614

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                    The Materials Project. Materials Data on Ti4Co5Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743614.

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                    The Materials Project. Materials Data on Ti4Co5Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1743614

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                    The Materials Project. 2020.  
"Materials Data on Ti4Co5Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1743614.  https://www.osti.gov/servlets/purl/1743614. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743614,

  title        = {Materials Data on Ti4Co5Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4Co5Ni crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to eight Co and one Ni atom. There are four shorter (2.48 Å) and four longer (2.65 Å) Ti–Co bond lengths. The Ti–Ni bond length is 2.56 Å. In the second Ti site, Ti is bonded in a body-centered cubic geometry to eight Co atoms. There are four shorter (2.55 Å) and four longer (2.60 Å) Ti–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ni atoms. All Co–Ni bond lengths are 2.51 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Ti atoms. In the third Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. Ni is bonded in a distorted q6 geometry to two equivalent Ti and eight equivalent Co atoms.},

  doi          = {10.17188/1743614},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743614

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