| Abstract: | NbOCl3 was obtained from a reaction of NbCl5 and Nb2O5 at 260?C. Contrary to the literature data, NbOCl3 crystallizes in the non‐centrosymmetric space group P&4macr;21m as determined by single‐crystal and powder X‐ray diffraction data (crystal: a = b = 1089.59(6) pm, c = 394.79(2) pm, Z = 4, R1 = 0.0229, wR2 = 0.0459, powder: a = b = 1086.36(6) pm, c = 393.65(2) pm). The niobium atoms are surrounded by distorted octahedra built of four chlorine atoms and two oxygen atoms in trans positions. Two such octahedra are edge‐bridged through shared chlorine atoms, forming dimers. These units are linked to each other by apical oxygen atoms forming one‐dimensional Nb2Cl6O2 chains parallel 001]. Contrary to the literature data two different Nb‐O distances are obtained. |
