Materials Data on TiCuGe by Materials Project

doi:10.17188/1704557

Title: Materials Data on TiCuGe by Materials Project

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Abstract

TiCuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to six equivalent Cu and five equivalent Ge atoms. There are a spread of Ti–Cu bond distances ranging from 2.89–3.10 Å. There are a spread of Ti–Ge bond distances ranging from 2.57–2.80 Å. Cu is bonded to six equivalent Ti, two equivalent Cu, and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuTi6Cu2Ge4 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1101311

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; TiCuGe; Cu-Ge-Ti

OSTI Identifier:: 1704557

DOI:: https://doi.org/10.17188/1704557

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                    The Materials Project. Materials Data on TiCuGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1704557.

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                    The Materials Project. Materials Data on TiCuGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1704557

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                    The Materials Project. 2020.  
"Materials Data on TiCuGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1704557.  https://www.osti.gov/servlets/purl/1704557. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1704557,

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

  author       = {The Materials Project},

  abstractNote = {TiCuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to six equivalent Cu and five equivalent Ge atoms. There are a spread of Ti–Cu bond distances ranging from 2.89–3.10 Å. There are a spread of Ti–Ge bond distances ranging from 2.57–2.80 Å. Cu is bonded to six equivalent Ti, two equivalent Cu, and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuTi6Cu2Ge4 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms.},

  doi          = {10.17188/1704557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1704557

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