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DOE OSTI · 1746357

Materials Data on Pr3AlN by Materials Project

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Abstract

Pr3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Pr–Al bond lengths are 3.57 Å. Both Pr–N bond lengths are 2.52 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent NPr6 octahedra. N is bonded to six equivalent Pr atoms to form NPr6 octahedra that share corners with six equivalent NPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAl-N-Prcrystal structurePr3AlN

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2020-05-03. Materials Data on Pr3AlN by Materials Project. https://doi.org/10.17188/1746357

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