Materials Data on Nb5Ge4 by Materials Project

doi:10.17188/1197112

Title: Materials Data on Nb5Ge4 by Materials Project

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Abstract

Nb5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.73–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.57–2.78 Å. In the third Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Nb–Ge bond distances ranging from 2.58–2.79 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-21681

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; Nb5Ge4; Ge-Nb

OSTI Identifier:: 1197112

DOI:: https://doi.org/10.17188/1197112

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                    The Materials Project. Materials Data on Nb5Ge4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197112.

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                    The Materials Project. Materials Data on Nb5Ge4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197112

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                    The Materials Project. 2020.  
"Materials Data on Nb5Ge4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197112.  https://www.osti.gov/servlets/purl/1197112. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1197112,

  title        = {Materials Data on Nb5Ge4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.73–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.57–2.78 Å. In the third Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Nb–Ge bond distances ranging from 2.58–2.79 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom.},

  doi          = {10.17188/1197112},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1197112

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