Materials Data on Sc2Nb3Ge4 by Materials Project

doi:10.17188/1678002

Title: Materials Data on Sc2Nb3Ge4 by Materials Project

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Abstract

Sc2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.77–3.01 Å. There are two inequivalent Nb sites. In the first 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 2.62–2.80 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Nb–Ge bond distances ranging from 2.69–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.76 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six Nb, and one Ge atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1200971

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; Sc2Nb3Ge4; Ge-Nb-Sc

OSTI Identifier:: 1678002

DOI:: https://doi.org/10.17188/1678002

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                    The Materials Project. Materials Data on Sc2Nb3Ge4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678002.

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                    The Materials Project. Materials Data on Sc2Nb3Ge4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678002

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                    The Materials Project. 2020.  
"Materials Data on Sc2Nb3Ge4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678002.  https://www.osti.gov/servlets/purl/1678002. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678002,

  title        = {Materials Data on Sc2Nb3Ge4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.77–3.01 Å. There are two inequivalent Nb sites. In the first 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 2.62–2.80 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Nb–Ge bond distances ranging from 2.69–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.76 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six Nb, and one Ge atom.},

  doi          = {10.17188/1678002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678002

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