HYDROTHERMAL SYNTHESIS AND CRYSTAL-STRUCTURES OF 2 COPPER VANADIUM PHOSPHATES - CU-0.5[VOPO4]CENTER-DOT-2H(2)O AND CU-0.5(OH)(0.5)[VOPO4]CENTER-DOT-2H(2)O
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Two layered copper vanadium phosphates, Cu0.5[OPO4] 2H2O (1) and Cu0.5(OH)0.5[VOPO4] 2H2O (2), have been synthesized hydrothermally and their structures determined by single-crystal X ray crystallography. Phosphate 1 is monoclinic, space group P 21/m, a = 6.614 (2) , b = 8.930 (2) , c = 9.071 (2) , = 103.79 (2), Z = 4, V = 520.3 (3) 3. Refinement with 750 observed reflections for which I 3 (I) gave R (RW) = 0.051 (0.058). The structure has hydrated Cu2+ ions bonded to layers composed of distorted VO6 octahedra and PO4 tetrahedra. Each Cu2+ ion is bonded to only one layer and possesses a nearly square planar geometry but with two very long axial bonds. This results in a very distorted octahedral configuration composed of two phosphate oxygens, three water molecules, and one vanadyl oxygen. Phosphate 2 is triclinic, space group P1, a = 7.0124 (8) , b = 12.6474 (9) , c = 6.3022 (6) , = 90.079 (8), = 96.076 (9) = 74.002 (7), Z = 2, V = 534.05 (9) 3. Refinement using 2311 observed reflections with I 3 (I) gave R (RW) = 0.035 (0.043). The structure consists of VOPO4 layers somewhat similar to those of 1, but with the layers bridged together through Cu dimers of Cu2(OH)2(H2O)4. Each Cn2+ ion is in a distorted square planar configuration. 1995 Academic Press. All rights reserved.
