Materials Data on NdFe3(BO3)4 by Materials Project

Kristin Persson
NdFe3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent O2- atoms to form distorted NdO6 pentagonal pyramids that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Nd–O bond lengths are 2.43 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent NdO6 pentagonal pyramids and edges with...
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