Structure and Bonding of Two Modifications of CsSnI3 by Means of Powder X-Ray Diffraction, 127I NQR, and DTA

Abstract

A first-order phase transition accompanied by a color change from green to black was observed for CsSnI3 at about 425 K. These two modifications showed quite different 127I NQR spectra suggesting drastic structural change. High temperature modification has a perovskite structure with semi-metallic electric conductivity. The anion structure and bonding for the two modifications have been discussed on the basis of 127I NQR and X-ray diffraction data.

Organohalide lead perovskites for photovoltaic applications

“…103 So far it has been proved that small monovalent cations, such as K + , Rb + , Cs + , methylammonium (MA + ), or formanidinium (FA + ) can form a three-dimensional (3D) framework with the PbI 6 network. 19,31,[104][105][106][107][108][109][110] Within the scope of this comparison, the effective ionic radius follows a trend of R Cs + < R MA + < R FA + as illustrated in Fig. 8.…”

Sensitivity-Enhanced 207Pb Solid-State NMR Spectroscopy for the Rapid, Non-Destructive Characterization of Organolead Halide Perovskites

“…For these reasons we have previously applied 207 Pb solid-state nuclear magnetic resonance (NMR) spectroscopy to determine the local lead coordination environment and probe phase segregation and mixing within mixed halide perovskites. , Many other research groups have also used solid-state NMR and nuclear quadrupole resonance (NQR) spectroscopy of the elements commonly found in lead halide perovskites ( 1 H, 2 H, 13 C, 14 N, 35 Cl, 79 Br, 127 I, 133 Cs, 207 Pb, etc.) to probe structure, observe hydration, and measure the dynamics of cations and anions. − …”

Pressure-Induced Changes in the Structure and Band Gap of CsGeX3 (X = Cl, Br) Studied by Electronic Band Structure Calculations

“…A phase transition from the rhombohedral to primitive cubic structure can be induced by applying pressure and/or raising temperature. Structural phase transitions of CsMX 3 lead to interesting changes in their physical properties, so CsGeX 3 , − CsSnX 3 , − and CsPbX 3 12,21-25 have been the subject of numerous experimental studies. The crystal structure of a primitive cubic perovskite CsMX 3 is obtained by sharing the corners of MX 6 octahedra (Figure a).…”