Voids and Intermediate-Range Order in Network-Forming Liquids : Rb_<20>Se_<80> and BiBr_3(Condensed matter: structure and mechanical and thermal properties)

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The RMC and Voronoi-Delaunay analyses were applied to study the void structure in the network-forming liquids: Rb_<20>Se_<80> and BiBr_3. The distribution function of the relative positions of atoms and void centers in space, the coordination number of atoms and voids around a void and the size distribution of voids were examined using the previous experimental data for S(Q) to characterize the connectivity of the bonding network supporting voids and the intermediate-range correlation as manifested in the pre-peak of S(Q). The voids in 1-Rb_<20>Se_<80> are formed by the 8-membered ring-like Se chains. A Rb cluster composed of 3-4 Rb atoms replaces one of five void sites and binds 〜4 Se rings involving voids around it through the interactions between Rb and Se and between Rb and Rb. In 1-BiBr_3 the hexagonal cages involving voids are formed by the corner-sharing of the trigonal pyramidal BiBr_3 blocks. The strong preference of Bi ion for three-fold coordination helps to bind between the neighboring cages and to construct a honeycomb network in highly correlated fashion. The pre-peak of the observed S(Q) indicative of the intermediate-range order arises from the correlation between the neighboring Se rings in 1-Rb_<20>Se_<80> and between the neighboring hexagonal cages formed by BiBr_3 blocks in 1-BiBr_3. In conclusion the pre-peak of S(Q) in 1-Rb_<20>Se_<80> and 1-BiBr_3 is related to the pre-peak of the void-based concentration-concentration structure factor S'_<CC>(Q) due to an intermediate chemical order in the structure.
2007-07-15

Voids and Intermediate-Range Order in Network-Forming Liquids : Rb_<20>Se_<80> and BiBr_3(Condensed matter: structure and mechanical and thermal properties)

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