Single-crystal growth and structure determination of Ag16I12P2O7

Single crystals of the fast-ion conductor Ag₁₆I₁₂P₂O₇ were prepared and their structure ($\text{P6}\text{mcc}\text{, a = 12.054, c = 7.504}$ Å) was determined by X-ray diffraction (r = 0.08). The I atoms form a close-packed array leaving channels occupied by P₂O^4?₇ ions running along the c axis. The Ag atoms are disordered over four different types of site with occupation numbers ranging from 0.12 to 0.52. Each Ag⁺ ion coordination polyhedron shares several faces with adjacent polyhedra providing ready paths for Ag⁺ ion conduction.