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Observation of a New Polyhalide Phase in Ag-Cl 2 System at High Pressure

In this short contribution, we examine Raman spectroscopic data from high-pressure and high-temperature experiments with an Ag-Cl2 system, and find that they are in good agreement with previously observed and calculated spectra of polychloride species. Our results imply the formation of a hitherto unknown AgClx compound, which warrants further study.

36 MATERIALS SCIENCE↗

Materials Data on AgCl by Materials Project

AgCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.81 Å. Cl1- is bonded to six equivalent Ag1+ atoms to form a mixture of corner and edge-sharing ClAg6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on AgCl by Materials Project

AgCl is Halite, Rock Salt-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 10–17°. There are a spread of Ag–Cl bond distances ranging from 2.77–2.90 Å. Cl1- is bonded to six equivalent Ag1+ atoms to form a mixture of edge and corner-sharing ClAg6 octahedra. The corner-sharing octahedra tilt angles range from 10–17°.

36 MATERIALS SCIENCE↗

Materials Data on AgCl by Materials Project

AgCl crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two AgCl sheets oriented in the (0, 1, 0) direction. Ag1+ is bonded in a 5-coordinate geometry to five equivalent Cl1- atoms. There are four shorter (2.75 Å) and one longer (3.02 Å) Ag–Cl bond lengths. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ag2Cl3 by Materials Project

Ag2Cl3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ag+1.50+ is bonded to six equivalent Cl1- atoms to form a mixture of edge, corner, and face-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are three shorter (2.66 Å) and three longer (2.73 Å) Ag–Cl bond lengths. Cl1- is bonded to four equivalent Ag+1.50+ atoms to form a mixture of distorted edge and corner-sharing ClAg4 trigonal pyramids.

36 MATERIALS SCIENCE↗