Materials Data on Na4WO5 by Materials Project
Na4WO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. The Na–Na bond length is 2.57 Å. There are a spread of Na–O bond distances ranging from 2.10–2.82 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.67 Å. In the third Na1+ site, Na1+ is bonded in a 12-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.85 Å. In the fourth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.72–2.99 Å. In the fifth Na1+ site, Na1+ is bonded in a 12-coordinate geometry to two equivalent Na1+, two equivalent W6+, and eight O2- atoms. Both Na–W bond lengths are 2.61 Å. There are a spread of Na–O bond distances ranging from 2.46–2.79 Å. W6+ is bonded in a 1-coordinate geometry to one Na1+ and four O2- atoms. There are a spread of W–O bond distances ranging from 1.81–2.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.15 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to five Na1+, two equivalent W6+, and two equivalent O2- atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one W6+ atom.