Materials Data on Na2Sb4O7 by Materials Project

Abstract

Na2Sb4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.55 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.21 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.38 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Na1+ and two Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Sb3+ atoms to form a mixture of distorted corner and edge-sharing ONa2Sb2 tetrahedra.