DOI: 10.17188/1285861
title: Materials Data on W5O14 by Materials Project

description: W5O14 crystallizes in the tetragonal P-42_1m space group. The structure is one-dimensional and consists of two W4O11 ribbons oriented in the (0, 0, 1) direction and eight WO3 ribbons oriented in the (0, 0, 1) direction. In each W4O11 ribbon, there are five inequivalent W+5.60+ sites. In the first W+5.60+ site, W+5.60+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.23 Å. In the second W+5.60+ site, W+5.60+ is bonded to four O2- atoms to form distorted WO4 tetrahedra that share corners with two equivalent WO4 tetrahedra and a cornercorner with one WO5 trigonal bipyramid. There are a spread of W–O bond distances ranging from 1.73–1.98 Å. In the third W+5.60+ site, W+5.60+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.82–2.47 Å. In the fourth W+5.60+ site, W+5.60+ is bonded to five O2- atoms to form distorted WO5 trigonal bipyramids that share a cornercorner with one WO4 tetrahedra and corners with three equivalent WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.72–2.01 Å. In the fifth W+5.60+ site, W+5.60+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.94–2.09 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.60+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one W+5.60+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one W+5.60+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three W+5.60+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W+5.60+ and one O2- atom. The O–O bond length is 1.51 Å. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent W+5.60+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent W+5.60+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one W+5.60+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.60+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three W+5.60+ atoms. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one W+5.60+ and one O2- atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.60+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two W+5.60+ atoms. In each WO3 ribbon, W+5.60+ is bonded to four O2- atoms to form distorted corner-sharing WO4 tetrahedra. There are a spread of W–O bond distances ranging from 1.73–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent W+5.60+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one W+5.60+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one W+5.60+ atom.