Materials Data on Nd3In4Ge by Materials Project

doi:10.17188/1751796

Title: Materials Data on Nd3In4Ge by Materials Project

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Abstract

Nd3In4Ge crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to eight equivalent In and two equivalent Ge atoms. All Nd–In bond lengths are 3.44 Å. Both Nd–Ge bond lengths are 3.02 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight equivalent In and two equivalent Ge atoms. There are a spread of Nd–In bond distances ranging from 3.19–3.91 Å. Both Nd–Ge bond lengths are 3.22 Å. In is bonded in a 5-coordinate geometry to six Nd and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.00–3.43 Å. Ge is bonded to six Nd atoms to form corner-sharing GeNd6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1210381

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; Nd3In4Ge; Ge-In-Nd

OSTI Identifier:: 1751796

DOI:: https://doi.org/10.17188/1751796

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                    The Materials Project. Materials Data on Nd3In4Ge by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751796.

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                    The Materials Project. Materials Data on Nd3In4Ge by Materials Project.  United States.  doi:https://doi.org/10.17188/1751796

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                    The Materials Project. 2020.  
"Materials Data on Nd3In4Ge by Materials Project".  United States.  doi:https://doi.org/10.17188/1751796.  https://www.osti.gov/servlets/purl/1751796. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1751796,

  title        = {Materials Data on Nd3In4Ge by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3In4Ge crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to eight equivalent In and two equivalent Ge atoms. All Nd–In bond lengths are 3.44 Å. Both Nd–Ge bond lengths are 3.02 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight equivalent In and two equivalent Ge atoms. There are a spread of Nd–In bond distances ranging from 3.19–3.91 Å. Both Nd–Ge bond lengths are 3.22 Å. In is bonded in a 5-coordinate geometry to six Nd and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.00–3.43 Å. Ge is bonded to six Nd atoms to form corner-sharing GeNd6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.},

  doi          = {10.17188/1751796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1751796

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