Materials Data on AlCrFe2 by Materials Project

doi:10.17188/1685965

Title: Materials Data on AlCrFe2 by Materials Project

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Abstract

Fe2CrAl crystallizes in the orthorhombic Cmm2 space group. The structure is one-dimensional and consists of two Fe2CrAl ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a 12-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Cr–Fe bond lengths are 2.45 Å. Both Cr–Al bond lengths are 2.56 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Al atoms. Both Fe–Al bond lengths are 2.50 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Cr atoms. Al is bonded in a 12-coordinate geometry to two equivalent Cr and two equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1228937

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; AlCrFe2; Al-Cr-Fe

OSTI Identifier:: 1685965

DOI:: https://doi.org/10.17188/1685965

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                    The Materials Project. Materials Data on AlCrFe2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1685965.

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                    The Materials Project. Materials Data on AlCrFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685965

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                    The Materials Project. 2019.  
"Materials Data on AlCrFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685965.  https://www.osti.gov/servlets/purl/1685965. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1685965,

  title        = {Materials Data on AlCrFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2CrAl crystallizes in the orthorhombic Cmm2 space group. The structure is one-dimensional and consists of two Fe2CrAl ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a 12-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Cr–Fe bond lengths are 2.45 Å. Both Cr–Al bond lengths are 2.56 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Al atoms. Both Fe–Al bond lengths are 2.50 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to two equivalent Cr atoms. Al is bonded in a 12-coordinate geometry to two equivalent Cr and two equivalent Fe atoms.},

  doi          = {10.17188/1685965},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1685965

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