Materials Data on Zr3(Cu2Ge)2 by Materials Project

doi:10.17188/1191497

Title: Materials Data on Zr3(Cu2Ge)2 by Materials Project

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Abstract

Zr3(Cu2Ge)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to seven Cu and four equivalent Ge atoms. There are a spread of Zr–Cu bond distances ranging from 2.65–3.06 Å. All Zr–Ge bond lengths are 2.80 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted trigonal planar geometry to three equivalent Zr and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.54 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to six equivalent Zr, four Cu, and two equivalent Ge atoms. Both Cu–Cu bond lengths are 2.67 Å. Both Cu–Ge bond lengths are 2.51 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Cu atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-15985

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; Zr3(Cu2Ge)2; Cu-Ge-Zr

OSTI Identifier:: 1191497

DOI:: https://doi.org/10.17188/1191497

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                    The Materials Project. Materials Data on Zr3(Cu2Ge)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191497.

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                    The Materials Project. Materials Data on Zr3(Cu2Ge)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191497

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                    The Materials Project. 2020.  
"Materials Data on Zr3(Cu2Ge)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191497.  https://www.osti.gov/servlets/purl/1191497. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191497,

  title        = {Materials Data on Zr3(Cu2Ge)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3(Cu2Ge)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to seven Cu and four equivalent Ge atoms. There are a spread of Zr–Cu bond distances ranging from 2.65–3.06 Å. All Zr–Ge bond lengths are 2.80 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted trigonal planar geometry to three equivalent Zr and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.54 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to six equivalent Zr, four Cu, and two equivalent Ge atoms. Both Cu–Cu bond lengths are 2.67 Å. Both Cu–Ge bond lengths are 2.51 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Cu atoms.},

  doi          = {10.17188/1191497},

  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/10.17188/1191497

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