A novel crystal polymorph of volborthite

H. Ishikawa, J. Yamaura, Y. Okamoto, H. Yoshida, G. J. Nilsen and Z. Hiroi (2012): A novel crystal polymorph of volborthite, Cu3V2O7(OH)2•2H2O. Acta Crystallogr. C68, i41-i44.

A new polymorph of volborthite [tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate], Cu3V2O7(OH)2•2H2O, has been discovered in a single crystal prepared by hydrothermal synthesis. X-ray analysis reveals that the monoclinic structure has the space group C2/c at room temperature, which is different from that of the previously reported C2/m structure. Both structures have Cu3O6(OH)2 layers composed of edge-sharing CuO4(OH)2 octahedra, with V2O7 pillars and water molecules between the layers. The Cu atoms occupy two and three independent crystallographic sites in the C2/m and C2/c structures, respectively, likely giving rise to different magnetic interactions between CuII spins in the kagome lattices embedded in the Cu3O6(OH)2 layers.
_cell_length_a 10.6118(4)
_cell_length_b 5.8708(2)
_cell_length_c 14.4181(6)
_cell_angle_beta 95.0290(10)
_cell_volume 894.79(6)
_cell_formula_units_Z 4