Materials Data on Fe6Ge5 by Materials Project

doi:10.17188/1279613

Title: Materials Data on Fe6Ge5 by Materials Project

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Abstract

Fe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.74 Å. There are a spread of Fe–Ge bond distances ranging from 2.41–2.89 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.71 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.69 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to two equivalent Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Ge bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.47 Å. There are a spread of Fe–Ge bond distances ranging from 2.43–2.47 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Ge atoms.more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-636946

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; Fe6Ge5; Fe-Ge

OSTI Identifier:: 1279613

DOI:: https://doi.org/10.17188/1279613

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                    The Materials Project. Materials Data on Fe6Ge5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279613.

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                    The Materials Project. Materials Data on Fe6Ge5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279613

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                    The Materials Project. 2020.  
"Materials Data on Fe6Ge5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279613.  https://www.osti.gov/servlets/purl/1279613. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1279613,

  title        = {Materials Data on Fe6Ge5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe6Ge5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.37–2.74 Å. There are a spread of Fe–Ge bond distances ranging from 2.41–2.89 Å. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.71 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.69 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to two equivalent Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.77 Å. There are a spread of Fe–Ge bond distances ranging from 2.42–2.66 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.47 Å. There are a spread of Fe–Ge bond distances ranging from 2.43–2.47 Å. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to six Fe and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.44–2.51 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms.},

  doi          = {10.17188/1279613},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279613

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