Materials Data on Na3ReO5 by Materials Project

Na3ReO5 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.54 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.61 Å. In the third 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 2.34–2.88 Å. Re7+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.80–1.87 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to three Na1+ and one Re7+ atom. In the fifth O2- site, O2- is bonded in a distorted see-saw-like geometry to three Na1+ and one Re7+ atom.