Materials Data on NaGeSbO5 by Materials Project

Abstract

NaGeSbO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.73 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There is two shorter (1.77 Å) and two longer (1.78 Å) Ge–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.97 Å) and four longer (2.02 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Ge4+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Ge4+, and one Sb5+ atom.