Materials Data on ScMn(BiO3)2 by Materials Project

Abstract

ScMn(BiO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of Sc–O bond distances ranging from 2.03–2.25 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. There are a spread of Mn–O bond distances ranging from 1.95–2.23 Å. Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sc3+, one Mn3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sc3+, one Mn3+, and one Bi3+ atom. In the third O2- site, O2- is bonded to one Sc3+, one Mn3+, and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OScMnBi2 tetrahedra.