Materials Data on AcSiO3 by Materials Project

Abstract

AcSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent O atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Ac–O bond lengths are 2.81 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.99 Å. O is bonded to four equivalent Ac and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing OAc4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.