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DOE OSTI · 1742769

Materials Data on KBa(FeAs)4 by Materials Project

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Abstract

KBa(FeAs)4 is alpha bismuth trifluoride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All K–As bond lengths are 3.41 Å. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.41 Å. Fe+2.25+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.31 Å. As3- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ba2+, and four equivalent Fe+2.25+ atoms.

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36 MATERIALS SCIENCEAs-Ba-Fe-Kcrystal structureKBa(FeAs)4

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2020-05-02. Materials Data on KBa(FeAs)4 by Materials Project. https://doi.org/10.17188/1742769

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