Low-Temperature Phase Transitions in the Trigonal Modification of Cs 3 Bi 2 Br 9 and Cs 3 Sb 2 I 9

Abstract

The trigonal (P-3 m1) modification of Cs 3 Bi 2 Br 9 and Cs 3 Sb 2 I 9 have been studied using NQR, X-ray single crystal and powder pattern methods. Moreover, the heat capacity was measured in a wide temperature interval: 4-300 K. In Cs 3 Bi 2 Br 9 a second-order phase transition was found at T C = 96 K. The low-temperature phase is monoclinic (C12/c1), with the unit cell doubled along the [001] direction. Cs 3 Sb 2 I 9 has a sequence of phase transitions at T C = 85 K, T i = 78 K and T L = 72.1 K. The monoclinic structure below 85 K is isomorphic with the low-temperature structure of Cs 3 Bi 2 Br 9 . According to calorimetric data the lock-in transition at 72.1 K is discontinuous.