Ehrhardt Claus, Gjikaj Mimoza
Institute of Inorganic and Analytical Chemistry, Clausthal University of Technology, Paul-Ernst-Strasse 4, 38678 Clausthal-Zellerfeld, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 3;66(Pt 8):i54. doi: 10.1107/S1600536810025304.
Single crystals of the title compound, CaNa(2)(P(2)S(6))·8H(2)O, were obtained by adding calcium hydroxide to an aqueous solution of Na(4)(P(2)S(6))·6H(2)O. The structure is isotypic with that of its strontium analogue and consists of one Ca(2+) cation, two Na(+) cations, one-half of a centrosymmetric (P(2)S(6))(4-) anion with staggered confirmation and four water mol-ecules in the asymmetric unit. The crystal structure can be described as being built up from layers of cations and anions extending parallel to (101). Within a layer, each CaO(8) polyhedron is connected via edge-sharing to two NaO(4)S(2) octa-hedra and to one NaO(2)S(4) octa-edron. The NaO(4)S(2) octa-hedra are, in turn, linked with two (P(2)S(6))(4-) anions through common corners. Various O-H⋯S hydrogen-bonding inter-actions lead to cohesion of adjacent layers. The Ca(2+) and one Na(+) cation are situated on a twofold rotation axis and the second Na(+) cation is situated on an inversion centre.
通过将氢氧化钙加入到Na₄(P₂S₆)·6H₂O的水溶液中，得到了标题化合物CaNa₂(P₂S₆)·8H₂O的单晶。其结构与其锶类似物的结构同型，不对称单元中包含一个Ca²⁺阳离子、两个Na⁺阳离子、一个具有交错构型的中心对称(P₂S₆)⁴⁻阴离子的一半以及四个水分子。晶体结构可描述为由平行于(101)延伸的阳离子层和阴离子层构成。在一层内，每个CaO₈多面体通过边共享与两个NaO₄S₂八面体和一个NaO₂S₄八面体相连。NaO₄S₂八面体又通过公共角与两个(P₂S₆)⁴⁻阴离子相连。各种O-H⋯S氢键相互作用导致相邻层凝聚。Ca²⁺和一个Na⁺阳离子位于一个二次旋转轴上，第二个Na⁺阳离子位于一个对称中心上。
