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DOE OSTI · 1194137

Materials Data on NdVO3 by Materials Project

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Abstract

NdVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.77 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent V3+ atoms.

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36 MATERIALS SCIENCEcrystal structureNd-O-VNdVO3

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2014-02-15. Materials Data on NdVO3 by Materials Project. https://doi.org/10.17188/1194137

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