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• W2012025187 abstract "Abstract Modulated Crystal Structures and Phase Transitions – The Compounds SrPt 2 As 2 and EuPt 2 As 2 The new compounds SrPt 2 As 2 ( a = 4.482(1), b = 4.525(1), c = 9.869(2) Å) and EuPt 2 As 2 ( a = 4.435(2), b = 4.467(2), c = 9.784(3) Å) have been prepared by reaction of the elements at 1050 °C. Satellite reflections observed in X‐ray diffraction experiments on single crystals revealed that both compounds have modulated crystal structures at room temperature. The average structures can be derived from the CaBe 2 Ge 2 type and described in the orthorhombic space group Pmmn (Z = 2) with splitted positions for half the Pt and As atoms. Based on the average structure of SrPt 2 As 2 , the modulated structure has been solved and refined using the (3+1)‐dimensional superspace group Pmmn (α00)0 s 0 and a modulation vector q = 0,62· a *. The modulation appears in the layers of the PtAs 4 tetrahedra with occupational and displacive components. The other atoms are also slightly affected by the modulation. With increasing pressure, SrPt 2 As 2 undergoes a phase transition at about 60 kbar. The crystal structure of the high pressure phase ( HP ‐SrPt 2 As 2 : a = 9.752(2), b = 4.398(1), c = 8.727(2) Å, β = 90.34(3)°; 66(5) kbar) is a monoclinic variant ( P 2 1 / c ; Z = 4) of the tetragonal CaBe 2 Ge 2 type known from EuPt 2 Ge 2 . Band structure calculations reveal that a Peierls‐distortion within the Pt square nets is a reason for the structural instabilities in SrPt 2 As 2 . The satellite reflections of EuPt 2 As 2 become weaker with increasing temperature and disappear above 200 °C. The high temperature phase ( HT ‐EuPt 2 As 2 : a = 4.464(1), c = 9.832(1) Å; 350 °C) crystallizes with the CaBe 2 Ge 2 type ( P 4/ nmm ; Z = 2). High thermal displacement parameters of the Pt and As atoms of the PtAs 4 tetrahedra cover the effects of the modulation at room temperature. Several analogous compounds were studied by X‐ray diffraction resulting in the following lattice parameters: a = 4.564(1), c = 10.021(2) Å for BaPt 2 As 2 , a = 4.603(2), c = 10.565(2) Å for SrPt 2 Sb 2 , a = 4.630(2), b = 4.683(2), c = 10.389(3) Å for EuPt 2 Sb 2 , and a = 4.458(1), c = 9.823(2) Å for SrIr 2 As 2 ." @default.
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• W2012025187 date "2007-08-27" @default.
• W2012025187 modified "2023-10-17" @default.
• W2012025187 title "Inkommensurabel modulierte Kristallstrukturen und Phasenumwandlungen – Die Verbindungen SrPt₂As₂ und EuPt₂As₂" @default.
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• W2012025187 doi "https://doi.org/10.1002/zaac.200700302" @default.
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