Materials Data on YSb(PbO3)2 by Materials Project

Abstract

YSb(PbO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–25°. There are two shorter (2.25 Å) and four longer (2.27 Å) Y–O bond lengths. Pb2+ is bonded in a 9-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.61–2.68 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 21–25°. There are two shorter (2.01 Å) and four longer (2.02 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+, two equivalent Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+, one Pb2+, and one Sb5+ atom.