Materials Data on Ti3Cu4 by Materials Project

doi:10.17188/1201170

Title: Materials Data on Ti3Cu4 by Materials Project

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Abstract

Ti3Cu4 is gamma CuTi-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to six Cu atoms. There are a spread of Ti–Cu bond distances ranging from 2.65–3.13 Å. In the second Ti site, Ti is bonded in a distorted q6 geometry to ten Cu atoms. There are eight shorter (2.62 Å) and two longer (2.68 Å) Ti–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Ti and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to five Ti and four equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: 2017-07-18

Other Number(s):: mp-2643

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; Ti3Cu4; Cu-Ti

OSTI Identifier:: 1201170

DOI:: https://doi.org/10.17188/1201170

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                    The Materials Project. Materials Data on Ti3Cu4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1201170.

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                    The Materials Project. Materials Data on Ti3Cu4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201170

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                    The Materials Project. 2017.  
"Materials Data on Ti3Cu4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201170.  https://www.osti.gov/servlets/purl/1201170. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1201170,

  title        = {Materials Data on Ti3Cu4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Cu4 is gamma CuTi-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to six Cu atoms. There are a spread of Ti–Cu bond distances ranging from 2.65–3.13 Å. In the second Ti site, Ti is bonded in a distorted q6 geometry to ten Cu atoms. There are eight shorter (2.62 Å) and two longer (2.68 Å) Ti–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Ti and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to five Ti and four equivalent Cu atoms.},

  doi          = {10.17188/1201170},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1201170

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