Crystal structure of Nb2Te4O13

Nb2Te4O13 crystallises in the space group P1¯ with the unit cell parameters: a = 7.535(5) angstrom, b = 12.647(7) angstrom, c = 12.702(7) angstrom, α = 116.05(4), β = 90.15 (4), γ = 90.03(4), Z = 4). Its structure has been refined by a full matrix least-squares process to R1 = 0.029 and wR2 = 0.068 values on the basis of 5202 independent single crystal X-ray reflections recorded with an automatic diffractometer. Infinite trans chains of NbO6 octahedra are connected via TeO4 disphenoids and TeO3 pyramids, to form double UVO5 like-sheets. These sheets are cross-linked by β-TeO2-like chains of alternately corner and edge-sharing TeO4 disphenoids, and constitute a three dimensional network, in the tunnels of which are located the electronic lone pairs E of Te4+ cations.