Review of X-ray powder diffraction data of rhombohedral bismuth tri-iodide

Abstract

Single crystals of rhombohedral bismuth tri-iodide grown by physical vapor transport are possible candidates for room-temperature detectors. Previously reported, low angle reflections in X-ray diffraction patterns of various BiI3 starting powders are attributed to the BiI3 structure from Rietveld analysis. Accordingly, the lattice parameters of stoichiometric BiI3 are determined as a0=7.5192±0.0003 Å and c0=20.721±0.004 Å at room temperature. It also appears that lattice parameter determination using Rietveld refinement can lead to significant errors if experimental aberrations are present and their nature and magnitude are unknown. A modified internal standard technique is applied to the data set prior to Rietveld refinement for more reliable lattice parameter determination.

Photothermally Enhanced Photoresponse of Bismuth Halide Perovskite by Phonon Scattering

“…Their surface morphologies were obtained with scanning electron microscopy (SEM) to reveal their uniform and tightly arranged grains (Figure ,ba). Their X-ray diffraction (XRD) patterns (Figure c) exhibit the main diffraction peaks of the BiI 3 thin film at 12.82, 36.57, and 41.68° indexed respectively with (003), (12-1), and (300) planes in the rhombohedral phase, and the main diffraction peaks of the Cs 3 Bi 2 I 9 thin film at 12.14, 12.84, 25.85, 27.52, 29.73, and 42.99° indexed respectively with (100), (101), (202), (203), (204), and (220) planes in the hexagonal phase Figure S1 in the Supporting Information (SI) shows energy dispersion X-ray spectra of the Cs 3 Bi 2 I 9 thin film, confirming that the element content is basically consistent with the atomic ratio of Cs 3 Bi 2 I 9 .…”

Purification and Crystal Growth of the Bismuth (III) Iodide-influence of Trace Impurities on the Crystal Quality

“…The crystalline quality was analyzed by X-ray diffraction (DRX) (Keller, 1996) for samples from the regions (Top, Middle, Bottom) at each growth process. An X-ray diffractometer Phillips Model DR 714020 with Cu Kα radiation target (40kV, 35mA, in the 2θ range from 0 to 60º) was used for structural characterization of BiI 3 crystal grown with different impurities.…”

STRUCTURAL TRANSITIONS OF BiI3 UNDER PRESSURE

“…14 Available experimentally determined structure (R-3) and three possible crystal structures (P2 1 /c, Fm-3m and Pnma) are used as input for the calculations. 15 approximation (GGA) is adopted to describe the exchange and correlation potentials for electron-electron interaction. The Vanderbilt's ultrasoft pseudopotential (USPP) is used to describe the electron-ion interaction.…”