Materials Data on Tl4V2O7 by Materials Project
V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.