Materials Data on W9O13 by Materials Project
W9O13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent W+2.89+ sites. In the first W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share corners with four equivalent WO5 square pyramids and edges with two equivalent WO6 octahedra. There are a spread of W–O bond distances ranging from 2.14–2.22 Å. In the second W+2.89+ site, W+2.89+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.04–2.56 Å. In the third W+2.89+ site, W+2.89+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of W–O bond distances ranging from 2.05–2.46 Å. In the fourth W+2.89+ site, W+2.89+ is bonded to six O2- atoms to form WO6 octahedra that share a cornercorner with one WO6 octahedra, a cornercorner with one WO5 square pyramid, and edges with two equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.97–2.18 Å. In the fifth W+2.89+ site, W+2.89+ is bonded to five O2- atoms to form distorted WO5 square pyramids that share corners with three WO6 octahedra and edges with two equivalent WO5 square pyramids. The corner-sharing octahedra tilt angles range from 22–74°. There are a spread of W–O bond distances ranging from 1.91–2.20 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four W+2.89+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+2.89+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.89+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+2.89+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four W+2.89+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W+2.89+ atoms.