Materials Data on La2HfO5 by Materials Project

Kristin Persson
La2HfO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form distorted LaO6 octahedra that share corners with two equivalent LaO6 octahedra, corners with four equivalent HfO6 octahedra, and edges with six LaO6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are a spread of La–O bond distances ranging from 2.45–2.48 Å....
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