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AbstractAbstract
[en] The room-temperature phase of K2ZnBr4 is isomorphous with Sr2GeS4 (P21/m) while the low-temperature structure (P21) is slightly distorted [the phase transition occurs at 155 K]. Both structures contain highly deformed tetrahedral [ZnBr4]2- molecules with Br(3)-Zn-Br(3') angles of 103.06(5) and 102.49(9) at 291 and 144 K, respectively. This distortion is caused by the repulsion of Br atoms whose distance 3.712(1) and 3.661(2) A at 291 and 144 K, respectively, is below the Br-Br van der Waals distance (3.9 A). The phase transition is accompanied by minor shifts of cations and [ZnBr4]2-tetrahedra which are simultaneously rotated about a small angle. Below the phase transition point an inversion twin develops whose twin-fraction parameter was refined to 0.459(65). (orig.)
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Acta Crystallographica. Section C: Crystal Structure Communications; ISSN 0108-2701;
; CODEN ACSCEE; v. 49(5); p. 946-950

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