Materials Data on Na3OsO5 by Materials Project
Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.