Materials Data on Nb5Ge3 by Materials Project

doi:10.17188/1732802

Title: Materials Data on Nb5Ge3 by Materials Project

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Abstract

Nb5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. There are four shorter (2.62 Å) and two longer (3.01 Å) Nb–Ge bond lengths. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.66–2.78 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.56 Å.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1188215

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; Nb5Ge3; Ge-Nb

OSTI Identifier:: 1732802

DOI:: https://doi.org/10.17188/1732802

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                    The Materials Project. Materials Data on Nb5Ge3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1732802.

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                    The Materials Project. Materials Data on Nb5Ge3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732802

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                    The Materials Project. 2019.  
"Materials Data on Nb5Ge3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732802.  https://www.osti.gov/servlets/purl/1732802. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1732802,

  title        = {Materials Data on Nb5Ge3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. There are four shorter (2.62 Å) and two longer (3.01 Å) Nb–Ge bond lengths. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.66–2.78 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.56 Å.},

  doi          = {10.17188/1732802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1732802

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