Materials Data on Na6SbO5 by Materials Project

Abstract

Na6SbO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.46–2.57 Å. In the second Na site, Na is bonded to four equivalent O atoms to form distorted NaO4 tetrahedra that share corners with four equivalent SbO5 square pyramids and edges with two equivalent NaO4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.33 Å) Na–O bond lengths. In the third Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.73 Å. Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with eight equivalent NaO4 tetrahedra. There are one shorter (2.02 Å) and four longer (2.11 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Na and one Sb atom. In the second O site, O is bonded to six Na and one Sb atom to form a mixture of distorted edge, corner, and face-sharing ONa6Sb pentagonal bipyramids.