Crystal system: monoclinic
| a: | 12.648 (±0.001) Å |
| b: | 12.225 (±0.001) Å |
| c: | 20.605 (±0.002) Å |
| α: | 90° |
| β: | 97.434 (±0.002)° |
| γ: | 90° |
Starting materials: HI, H3PO2, anhydrous ethanol, SnI2, organic cation iodide salt
Product: Black plate-like crystals
Description: Stoichiometric ratios of purified SnI2 and the organic cation iodide salt were added to either an HI or ethanol solution in an inert atmosphere. The solids were fully dissolved by raising the ethanol solutions to 65 degrees Celsius and the HI solutions to 75 degrees. The solutions were then cooled at the rate of 1.5 degrees per hour until 5 degrees was reached, over which time crystals precipitated.
Method: Single-crystal X-ray diffraction
Description: Data were recorded using a Rigaku R-AXIS rapid imaging plate diffractometer with graphite-monochromated Mo Kα radiation (λ = 0.71069 Å).
Crystal system: monoclinic
| Band gap (fundamental), eV |
|---|
Code: CAESER Software Suite
Level of theory: Semiempirical model: Extended Huckel Method
Comment: The atomic parameters for Sn and I determined by the X-ray structure analyses were used.
Starting materials: HI, H3PO2, anhydrous ethanol, SnI2, organic cation iodide salt
Product: Single crystals
Description: Stoichiometric ratios of purified SnI2 and the organic cation iodide salt were added to either an HI or ethanol solution in an inert atmosphere. The solids were fully dissolved by raising the ethanol solutions to 65 degrees Celsius and the HI solutions to 75 degrees. The solutions were then cooled at the rate of 1.5 degrees per hour until 5 degrees was reached, over which time crystals precipitated.
Method: Four-probe method
Description: The standard four-probe method was used to measure the DC conductivity. Carbon paste was applied over the sample to mount two gold wires on either end of the sample as the current source. The two remaining wires, the voltage probes, were attached to the surface also via the carbon paste. The sample was kept in vacuum over the duration of the experiments, over the temperature range 5 to 300 K.
Crystal system: monoclinic
| Activation energy for electrical conduction, eV |
|---|
Starting materials: HI, H3PO2, anhydrous ethanol, SnI2, organic cation iodide salt
Product: Single crystals
Description: Stoichiometric ratios of purified SnI2 and the organic cation iodide salt were added to either an HI or ethanol solution in an inert atmosphere. The solids were fully dissolved by raising the ethanol solutions to 65 degrees Celsius and the HI solutions to 75 degrees. The solutions were then cooled at the rate of 1.5 degrees per hour until 5 degrees was reached, over which time crystals precipitated.
Method: Four-probe DC conductivity
Description: The standard four-probe method was used to measure the DC conductivity. Carbon paste was applied over the sample to mount two gold wires on either end of the sample as the current source. The two remaining wires, the voltage probes, were attached to the surface also via the carbon paste. The sample was kept in vacuum over the duration of the experiments, over the temperature range 5 to 300 K. Values extracted from fitting equation 1 in the article to the resistivity data.