Neutron Diffraction Analysis of a Single-Crystal Structure of Rb sub( 0.51)Tl sub( 0.49)H sub( 2)PO sub( 4)

A crystal structure analysis of the mixed crystal ... was conducted at ambient temperature by neutron diffraction analysis using a high-quality single crystal grown from an aqueous solution. ... and ... (TDP) exhibit clearly different crystal structures from each other, although Rb + and Tl + have almost the same ionic radii. The crystal structure of the title compound, i.e., ..., is isotypic to ..., having partially disordered H atoms in strong symmetry hydrogen bonds. The lone-pair electrons of Tl + ions are considered to have an effect on the stabilization of the two-dimensional network of hydrogen-bonded ... groups. Although the difference in chemical composition is very subtle, in contrast to the previous case of ..., the distribution of the lone-pair electrons seems to change and the hydrogen bond angle, especially for disordered hydrogen atoms, also shows significant changes. (ProQuest: ... denotes formulae/symbols omitted.)