The Ni atoms are not localized between the TaTe2 layers but occupy part of the tetrahedral interstices within the layers in Ta2Ni2Te4 (right) and Ta2Ni3Te4. Quantum chemical calculations confirm the significance of TaTa and TaNi interactions in these systems. The cluster formation in layer compounds can be attributed to the large affinity between electron-deficient and electron-rich metals.
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Wolfgang Tremel (1991) studied this question.
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