Crystal chemistry of selenates with mineral-like structures. IX. Crystal structure of the new compound Cu(HSeO4)2(H2O)

Gurzhiy V. V., Al-Shuray Α. Α., Britvin S. N., Krivovichev S. V.

Zapiski RMO (Proceedings of the Russian Mineralogical Society). 2016. V. 145. N 1. P. 122-130

Full text is available

Language: Russian


Novel copper hydrogen selenate compound Cu(HSeO4)2(H2O)6 (1) has been synthesized by hydrothermal technique in a steel autoclave with a Teflon capsule at temperature of 180 °C, followed by evaporation from the aqueous solution at room temperature during 3 days. The structure of 1 was solved by direct methods and refined to R1 = 0.028 (wR2 = 0.074) for 1281 reflections with |F0|4F: triclinic, P1, a = 6.1192(11), b = 6.3164(11), c = 8.6982(15) Å, α = 70.911(3), β = 84.152(3), γ = 73.538(4)°, V = 304.67(9) Å3, Z = 1. The structure is based on the [Cu(H2O)4(HSeO4)2] finite clusters arranged along the [111] direction, and consists of vertex-sharing Cu2+-centered distorted octahedral and Se6+-centered tetrahedral complexes. Trimeric clusters form the 3D structure via extensive hydrogen bonding system involving OH groups and both coordination and outer-sphere water molecules. Finite clusters of this type have been observed in the structures of anapaite, blodite, chenite, leonite, mereiterite and schertelite.

Key words: copper hydrogen selenate, finite clusters, hydrogen bonding, interatomic distances, water molecules.