Materials Data on CrFeSi2 by Materials Project

doi:10.17188/1675856

Title: Materials Data on CrFeSi2 by Materials Project

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Abstract

FeSi(CrSi) is beta-prime palladium aluminum-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cr5+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.34–2.54 Å. Fe3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.25–2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to three equivalent Cr5+ and four equivalent Fe3+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Cr5+ and three equivalent Fe3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1226256

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; CrFeSi2; Cr-Fe-Si

OSTI Identifier:: 1675856

DOI:: https://doi.org/10.17188/1675856

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                    The Materials Project. Materials Data on CrFeSi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675856.

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                    The Materials Project. Materials Data on CrFeSi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675856

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                    The Materials Project. 2020.  
"Materials Data on CrFeSi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675856.  https://www.osti.gov/servlets/purl/1675856. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1675856,

  title        = {Materials Data on CrFeSi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeSi(CrSi) is beta-prime palladium aluminum-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cr5+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.34–2.54 Å. Fe3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.25–2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to three equivalent Cr5+ and four equivalent Fe3+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Cr5+ and three equivalent Fe3+ atoms.},

  doi          = {10.17188/1675856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675856

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