Phase Transition of Rubidium Lead Tetrathiophosphate RbPbPS 4

The single crystal structure of RbPbPS 4 was determined at 293 K. The compound crystallizes in the orthorhombic space group Pnma (No. 62) with a = 17.486(1) Å, b = 6.7127(5) Å, c = 6.4191(5) Å, V = 753.5(1) Å 3 , Z = 4. Differential scanning calorimetry shows a reversible structural phase transition...

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Bibliographic Details
Published in:Zeitschrift für anorganische und allgemeine Chemie (1950) 2009-09, Vol.635 (11), p.1600-1603
Main Authors: Belkyal, Imane, El Azhari, Mohamed, Wu, Yuandong, Bensch, Wolfgang, Depmeier, Wulf
Format: Article
Language:English
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Summary:The single crystal structure of RbPbPS 4 was determined at 293 K. The compound crystallizes in the orthorhombic space group Pnma (No. 62) with a = 17.486(1) Å, b = 6.7127(5) Å, c = 6.4191(5) Å, V = 753.5(1) Å 3 , Z = 4. Differential scanning calorimetry shows a reversible structural phase transition at 182 K on cooling and at 184 K on heating. The phase transition is attributed to the displacement of the lead atoms which are located on the mirror planes at room temperature. In the low temperature modification, the Pb 2+ ions are moved away from the mirror plane thus changing the coordination number from seven at low temperature to six at room temperature. The low temperature phase of RbPbPS 4 is non‐centrosymmetric with space group P 2 1 2 1 2 1 , which is a maximal translationengleiche subgroup index 2 ( t 2) of Pnma . The analysis demonstrates that the phase transition is of second order, or at least nearly so.
ISSN:0044-2313
1521-3749
DOI:10.1002/zaac.200801178