Materials Data on Na4Al3Ge3O13 by Materials Project

Abstract

Na4Al3Ge3O13 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a trigonal non-coplanar geometry to three equivalent O atoms. All Na–O bond lengths are 2.27 Å. In the second Na site, Na is bonded to four O atoms to form distorted NaO4 tetrahedra that share corners with two equivalent NaO4 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent GeO4 tetrahedra. There are three shorter (2.36 Å) and one longer (2.48 Å) Na–O bond lengths. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent NaO4 tetrahedra and corners with four equivalent GeO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent NaO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Ge–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to three equivalent Na atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Na, one Al, and one Ge atom.