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DOE OSTI · 1709672

Materials Data on Pr3Sc2(FeO4)3 by Materials Project

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Abstract

Pr3Sc2(FeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.48 Å) and four longer (2.57 Å) Pr–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent FeO4 tetrahedra. All Sc–O bond lengths are 2.13 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Fe–O bond lengths are 1.91 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Pr3+, one Sc3+, and one Fe3+ atom.

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36 MATERIALS SCIENCEcrystal structureFe-O-Pr-ScPr3Sc2(FeO4)3

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2020-04-30. Materials Data on Pr3Sc2(FeO4)3 by Materials Project. https://doi.org/10.17188/1709672

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