Materials Data on Ti6Ni16Ge7 by Materials Project

doi:10.17188/1277005

Title: Materials Data on Ti6Ni16Ge7 by Materials Project

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Abstract

Ti6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.69 Å) and four longer (2.84 Å) Ti–Ni bond lengths. All Ti–Ge bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ti, six Ni, and four Ge atoms. There are three shorter (2.59 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.52 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.33 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ti and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTi4Ni8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-582759

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; Ti6Ni16Ge7; Ge-Ni-Ti

OSTI Identifier:: 1277005

DOI:: https://doi.org/10.17188/1277005

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                    The Materials Project. Materials Data on Ti6Ni16Ge7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277005.

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                    The Materials Project. Materials Data on Ti6Ni16Ge7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277005

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                    The Materials Project. 2020.  
"Materials Data on Ti6Ni16Ge7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277005.  https://www.osti.gov/servlets/purl/1277005. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1277005,

  title        = {Materials Data on Ti6Ni16Ge7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.69 Å) and four longer (2.84 Å) Ti–Ni bond lengths. All Ti–Ge bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ti, six Ni, and four Ge atoms. There are three shorter (2.59 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.52 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.33 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ti and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTi4Ni8 cuboctahedra.},

  doi          = {10.17188/1277005},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1277005

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