Über Münzmetall‐Quecksilber‐Chalkogenidhalogenide. V1) Solvothermalsynthese und Kristallstruktur der Hochtemperatur‐Modifikation von AgHgSI

On Coinage Metal Mercury Chalcogenide Halides. V. Solvothermal Synthesis and Crystal Structure of the High Temperature Modification of AgHgSI The solvothermal reaction of AgI and α‐HgS in diluted HI as solvent yields yellow crystals of α‐AgHgSI. The compound crystallizes in space group type P2₁2₁2₁ with a = 707.47(1), b = 773.18(2), c = 847.53(2) pm and Z = 4. The structure consists of a distorted hexagonal close packed array of sulphur and iodine, in which one fourth of the tetrahedral voids is occupied by silver and a half of the octahedral voids is occupied by mercury. The distortion of the hexagonal structure is caused by the steric demand of the lone pairs of sulphur and iodine. This could be shown by the calculation of the electron localisation function (ELF). The here described modification of AgHgSI can be obtained at 273 °C from the earlier published β‐AgHgSI and is therefore called α‐AgHgSI.