Materials Data on K2W2O5 by Materials Project

Abstract

K2W2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted single-bond geometry to one W4+ and five O2- atoms. The K–W bond length is 2.91 Å. There are a spread of K–O bond distances ranging from 1.87–3.12 Å. In the second K1+ site, K1+ is bonded in a distorted single-bond geometry to one W4+ and five O2- atoms. The K–W bond length is 2.84 Å. There are a spread of K–O bond distances ranging from 1.88–3.19 Å. In the third K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.04–3.00 Å. In the fourth K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.02–3.01 Å. There are four inequivalent W4+ sites. In the first W4+ site, W4+ is bonded in a square co-planar geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.95–2.80 Å. In the second W4+ site, W4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.96–2.20 Å. In the third W4+ site, W4+ is bonded in a distorted water-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.89–2.83 Å. In the fourth W4+ site, W4+ is bonded in a 6-coordinate geometry to two K1+ and five O2- atoms. There are a spread of W–O bond distances ranging from 2.23–2.77 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.18 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.19 Å) O–O bond lengths. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, one W4+, and one O2- atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, two W4+, and one O2- atom. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.94 Å. In the eighth O2- site, O2- is bonded in a 8-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.92 Å. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two W4+ and two O2- atoms. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two W4+ atoms.