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Materials Data on LaSmO3 by Materials Project

SmLaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded to six O2- atoms to form corner-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Sm–O bond distances ranging from 2.32–2.40 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Sm2 trigonal pyramids.

36 MATERIALS SCIENCE↗