Name: Materials Data on YAlO3 by Materials Project

Description: YAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.61 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Al–O bond distances ranging from 1.92–1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Al3+ atoms to form distorted corner-sharing OY2Al2 tetrahedra.

DOI: 10.17188/1207439

Location: https://materialsproject.org/materials/mp-3792/

Resository: https://materialsproject.org

Start date: 2020-07-16 00:00:00 UTC

End date:

Related Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis

Back