Materials Data on K2Te2W3O5 by Materials Project
K2W3Te2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.17 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.39 Å. There are three inequivalent W4+ sites. In the first W4+ site, W4+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.18 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.21 Å. In the third W4+ site, W4+ is bonded in a distorted single-bond geometry to one O2- atom. The W–O bond length is 2.19 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.46 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.97–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and two Te2- atoms. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two K1+, one W4+, and one Te2- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Te2- atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three K1+, one W4+, and one Te2- atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one K1+, two W4+, and one Te2- atom.