Ligand field splitting of d orbitals in nine-coordinated sites of capped antiprism structure: Application to monazite |
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| Authors: | RS de Biasi JC de Lima |
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| Institution: | Centro de Pesquisa de Materiasis, Instituto Militar de Engenharia, 22290 Rio de Janeiro, RJ, Brasil |
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| Abstract: | The splitting of the energy levels of d1 ions in a field of nine ligands arranged in a capped antiprism is calculated for both the regular and distorted structure. In the regular capped antiprism, the ground state is found to be the degenerate state dxy, dx2-y2; in the distorted structure, the ground state is dx2-y2. The results are consistent with experimental ESR data on the V4+: CePO4 system. |
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