Journal of the American Chemical Society, Vol.122, No.5, 808-809, 2000
No van Vleck-type paramagnetism in In2ZrBr6
The synthesis of In2ZrBr6 has been repeated via an alternative route, and by using thoroughly purified starting materials. These samples are diamagnetic (chi(mol) - 2.27 [10(-4) emu/mol]). Thus, previous claims that In2ZrBr6 would show a van Vleck-type paramagnetism are disproved. Based on structural data of better accuracy (single-crystal structure analysis: P4/mnc, 495 reflections, R-1 = 0.037) density functional band structure calculations were performed, which give no evidence for indirect coupling of In and Zr, mediated by bromine.