Abstract
The X-ray diffraction experiments and the reverse Monte Carlo analysis for liquid BiBr3 have been performed to clarify the distribution of Bi and Br ions around voids, comparing with previous results derived in the neutron diffraction experiments. The hexagonal cages involving voids are formed by the corner-sharing of the trigonal pyramidal BiBr3 blocks. The neighboring cages are linked together in highly correlated fashion. The observed pre-peak in S(Q) at 1.3Å−1 is related to the pre-peak of the void-based S'CC (Q) due to an intermediate chemical order in the structure. The pre-peak intensity increases with increasing temperature. This characteristic change for the pre-peak intensity is discussed by considering the modifications of the topology and stacking in the hexagonal cages.
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