Materials Data on TiCoGe by Materials Project

doi:10.17188/1198962

Title: Materials Data on TiCoGe by Materials Project

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Abstract

TiCoGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Co and five Ge atoms. There are two shorter (2.76 Å) and four longer (2.98 Å) Ti–Co bond lengths. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ge bond lengths. Co is bonded to six equivalent Ti, two equivalent Co, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTi6Co2Ge4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. There are two shorter (2.39 Å) and two longer (2.40 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Ti and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-22769

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; TiCoGe; Co-Ge-Ti

OSTI Identifier:: 1198962

DOI:: https://doi.org/10.17188/1198962

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                    The Materials Project. Materials Data on TiCoGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198962.

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                    The Materials Project. Materials Data on TiCoGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1198962

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                    The Materials Project. 2020.  
"Materials Data on TiCoGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1198962.  https://www.osti.gov/servlets/purl/1198962. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1198962,

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

  author       = {The Materials Project},

  abstractNote = {TiCoGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Co and five Ge atoms. There are two shorter (2.76 Å) and four longer (2.98 Å) Ti–Co bond lengths. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ge bond lengths. Co is bonded to six equivalent Ti, two equivalent Co, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTi6Co2Ge4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. There are two shorter (2.39 Å) and two longer (2.40 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Ti and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Co atoms.},

  doi          = {10.17188/1198962},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198962

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