Materials Data on ZrZnGe by Materials Project

doi:10.17188/1744463

Title: Materials Data on ZrZnGe by Materials Project

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Abstract

ZrZnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Zn and six equivalent Ge atoms. There are one shorter (2.60 Å) and four longer (2.91 Å) Zr–Zn bond lengths. There are two shorter (3.00 Å) and four longer (3.03 Å) Zr–Ge bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to six equivalent Zr and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.48 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ge atoms. All Zn–Ge bond lengths are 2.79 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Zr and four Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207223

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; ZrZnGe; Ge-Zn-Zr

OSTI Identifier:: 1744463

DOI:: https://doi.org/10.17188/1744463

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                    The Materials Project. Materials Data on ZrZnGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744463.

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                    The Materials Project. Materials Data on ZrZnGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1744463

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                    The Materials Project. 2020.  
"Materials Data on ZrZnGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1744463.  https://www.osti.gov/servlets/purl/1744463. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744463,

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

  author       = {The Materials Project},

  abstractNote = {ZrZnGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Zn and six equivalent Ge atoms. There are one shorter (2.60 Å) and four longer (2.91 Å) Zr–Zn bond lengths. There are two shorter (3.00 Å) and four longer (3.03 Å) Zr–Ge bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to six equivalent Zr and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.48 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ge atoms. All Zn–Ge bond lengths are 2.79 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Zr and four Zn atoms.},

  doi          = {10.17188/1744463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744463

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