Hydrothermal synthesis and crystal structures of two copper vanadium phosphates: Cu{sub 0.5}[VOPO{sub 4}]{center_dot}2H{sub 2}O and Cu{sub 0.5}(OH){sub 0.5}[VOPO{sub 4}]{center_dot}2H{sub 2}O
- NEC Research Institute, Princeton, NJ (United States)
- Texas A&M Univ., College Station, TX (United States)
Two layered copper vanadium phosphates, Cu{sub 0.5}[OPO{sub 4}]{center_dot}2H{sub 2}O (1) and Cu{sub 0.5}(OH){sub 0.5}[VOPO{sub 4}]{center_dot}2H{sub 2}O (2), have been synthesized hydrothermally and their structures determined by single-crystal X-ray crystallography. Phosphate 1 is monoclinic, space group P2{sub 1}/m, a = 6.614 (2) {angstrom}, b = 8.930(2) {angstrom}, c = 9.071(2) {angstrom}, {beta} = 103.79(2){degrees}, Z = 4, V = 520.3(3) {angstrom}{sup 3}. Refinement with 750 observed reflections for which I{ge}3{sigma}(I) gave R(R{sub w}) = 0.051(0.058). The structure has hydrated Cu{sup 2+} ions bonded to layers composed of distorted VO{sub 6} octahedra and PO{sub 4} tetrahedra. Each Cu{sup 2+} 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 P{bar 1}, a = 7.0124(8) {angstrom}, b = 12.6474(9) {angstrom}, c = 6.3022(6) {angstrom}, {alpha} = 90.079(8){degrees}, {beta} = 96.076(9){degrees}, {gamma} = 74.002(7){degrees}, Z = 2, V = 534.05(9) {angstrom}{sup 3}. Refinement using 2311 observed reflections with I {ge} 3{sigma}(I) gave R(R{sub w}) = 0.035 (0.043). The structure consists of VOPO{sub 4} layers somewhat similar to those of 1, but with the layers bridges together through Cu dimers of Cu{sub 2}(OH){sub 2}(H{sub 2}O){sub 4}. Each Cu{sup 2+} ion is in a distorted square planar configuration.
- OSTI ID:
- 171923
- Journal Information:
- Journal of Solid State Chemistry, Vol. 117, Issue 1; Other Information: PBD: Jun 1995
- Country of Publication:
- United States
- Language:
- English
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