The crystal structures of tin(II) chloride dihydrate in high- and low-temperature phases as studied by neutron and X-ray diffractions.
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概要
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The neutron-diffraction results for deuterated single crystals have shown definitely that the phase transition is ascribable to the ordering of the hydrogen atoms. The ordered arrangement below the transition temperature (<I>T</I><SUB>t</SUB>=234 K) agrees well with the NMR results. No doubling of the unit cell or loss of the center of symmetry can be detected. In the disordered phase above <I>T</I><SUB>t</SUB>, four deuterons of two non-equivalent water molecules are distributed into seven sites. The occupancy factors of the individual sites have been refined by least-squares methods under different constraints. Bernal and Fowler's ice rule is obeyed in the H-bonded water layers, and the water molecules of crystallization scarcely dissociate at all. The crystal structure has been redetermined by the X-ray diffraction method at 209 and 223 K, using an SnCl<SUB>2</SUB>·2H<SUB>2</SUB>O single crystal. No distinct change in the structure of non-hydrogen atoms has been disclosed on passing through the transition point (<I>T</I><SUB>t</SUB>=218 K). However, in the close vicinity of <I>T</I><SUB>t</SUB>, the <I>a</I> and <I>c</I> lattice parameters and the three H-bonded O···O distances steeply change in association with the ordering of the hydrogen atoms.
- 公益社団法人 日本化学会の論文
著者
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Kitahama Katsuki
The Institute Of Scientific And Industrial Research Osaka University
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Kiriyama Hideko
The Institute of Scientific and Industrial Research, Osaka University
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