Affiliation:
1. Institut für Anorganische und Analytische Chemie and NRW Graduate School of Chemistry, Universität Münster, Corrensstraße 30, 48149 Münster, Germany
2. Institut für Physikalische Chemie and NRW Graduate School of Chemistry, Universität Münster, Corrensstraße 30, 48149 Münster, Germany
Abstract
Single crystals of Sc2(TO4)3 with T = Mo and W were synthesized from Sc2O3, MoO3, and WO3 at 1223 K in NaCl / KCl as solvent. Both structures were refined from X-ray diffractometer data: Pbcn, a = 1325.1(1), b = 954.9(1), c = 964.4(1) pm, wR2 = 0.0425, 2097 F2, 79 variables for Sc2(MoO4)3 and a = 1332.9(9), b = 959.4(7), c = 967.9(2) pm, wR2 = 0.0384, 1971 F2, 79 variables for Sc2(WO4)3. The structures consist of a three-dimensional network of corner-sharing ScO6/2 octahedra and two crystallographically independent TO4/2 tetrahedra. 45Sc MAS NMR spectra show sharp single resonances in accordance with the crystallographic data. The quadrupolar interaction parameters obtained from a simulation of the full 45Sc MAS NMR spectra are found to be in good agreement with those obtained from DFT calculations of the electric field gradient
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