Materials Data on Nb(FeGe)6 by Materials Project

doi:10.17188/1195075

Title: Materials Data on Nb(FeGe)6 by Materials Project

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Abstract

Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb is bonded to eight Ge atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. There are two shorter (2.70 Å) and six longer (2.88 Å) Nb–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Fe and six Ge atoms. All Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.47 Å) and two longer (2.59 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Nb, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Nb and six equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-19887

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; Nb(FeGe)6; Fe-Ge-Nb

OSTI Identifier:: 1195075

DOI:: https://doi.org/10.17188/1195075

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                    The Materials Project. Materials Data on Nb(FeGe)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195075.

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                    The Materials Project. Materials Data on Nb(FeGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195075

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                    The Materials Project. 2020.  
"Materials Data on Nb(FeGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195075.  https://www.osti.gov/servlets/purl/1195075. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195075,

  title        = {Materials Data on Nb(FeGe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb is bonded to eight Ge atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. There are two shorter (2.70 Å) and six longer (2.88 Å) Nb–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Fe and six Ge atoms. All Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.47 Å) and two longer (2.59 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Nb, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Nb and six equivalent Fe atoms.},

  doi          = {10.17188/1195075},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195075

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