Materials Data on Na3SiSbCO7 by Materials Project

Abstract

Na3SiCSbO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.66 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.94 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.64–1.69 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.32 Å. Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.08–2.78 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and one C4+ atom to form distorted ONa4C trigonal bipyramids that share corners with two equivalent ONa4C trigonal bipyramids and an edgeedge with one ONa2SiSb tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one C4+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one C4+, and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Si4+, and one Sb3+ atom. In the fifth O2- site, O2- is bonded to two equivalent Na1+, one Si4+, and one Sb3+ atom to form distorted edge-sharing ONa2SiSb tetrahedra. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Si4+, and one Sb3+ atom.