Orientational ordering of C60 in the antiferromagnetic (NH3)K3C60 phase -: art. no. 132414

The absence of superconductivity in the ammoniated alkali fulleride, (NH3)K3C60, and the transition to an antiferromagnetic (AF) Mott insulating ground state have been associated with the combined effects of crystal symmetry lowering and increased interfullerene separation. We find that the low-temperature orientational ordering motif of the C-60 units in the perdeuterated analog, (ND3)K3C60, correlates well with the three-dimensional AF structure proposed by NMR, which arises through alternate stacking of two-dimensional sheets of C-60, which order ferrorotationally (antiferromagnetically) along the [110] and antiferrorotationally (ferromagnetically) along the [1 (1) over bar0] directions.