Materials Data on NdZnGe by Materials Project

doi:10.17188/1740198

Title: Materials Data on NdZnGe by Materials Project

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Abstract

NdZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.10 Å. All Nd–Ge bond lengths are 3.31 Å. In the second Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.38 Å. All Nd–Ge bond lengths are 3.16 Å. Zn is bonded in a 3-coordinate geometry to six Nd and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 3-coordinate geometry to six Nd and three equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1209836

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; NdZnGe; Ge-Nd-Zn

OSTI Identifier:: 1740198

DOI:: https://doi.org/10.17188/1740198

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                    The Materials Project. Materials Data on NdZnGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740198.

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                    The Materials Project. Materials Data on NdZnGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1740198

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                    The Materials Project. 2020.  
"Materials Data on NdZnGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1740198.  https://www.osti.gov/servlets/purl/1740198. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740198,

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

  author       = {The Materials Project},

  abstractNote = {NdZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.10 Å. All Nd–Ge bond lengths are 3.31 Å. In the second Nd site, Nd is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted edge and face-sharing NdZn6Ge6 cuboctahedra. All Nd–Zn bond lengths are 3.38 Å. All Nd–Ge bond lengths are 3.16 Å. Zn is bonded in a 3-coordinate geometry to six Nd and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.50 Å. Ge is bonded in a 3-coordinate geometry to six Nd and three equivalent Zn atoms.},

  doi          = {10.17188/1740198},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740198

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