Wydział Chemii

Vasyl Kinzhybalo

Jakub Wojciechowski

Dorota A. Kowalska

Vladyslav Maliuzhenko

Katarzyna A. Ślepokura

2026

Acta Crystallographica Section C: Structural Chemistry

82

277-284

10.1107/s2053229626005012

Naukowa

Angielski

Artykuł

The crystal structure of silver hypo­di­phos­phate, Ag₄(P₂O₆), was determined using 3D ED. The average structure is hexa­gonal, described in the space group P6₃/mcm, and is isomorphous with the average structure of known Li₄(P₂S₆). The silver cations form hexa­gonal atomic ring layers and the hypo­di­phos­phate anions occupy channels that centre every hexa­gonal ring, with the P—P bond oriented along the unique c axis. The hypo­di­phos­phate P₂O₆⁴⁻ anions are disordered, with the P atoms occupying two positions having 50% occupancy each and with O atoms common for both positions of the anion. The O atoms form an octa­hedral coordination environment for the silver cations. The hypo­di­phos­phate anions are stacked into columns along the unique axis direction. Neighbouring hypo­di­phos­phate columns may have P—P bonds on the same (ferro-type) or on different (anti­ferro-type) levels. This correlated disorder manifests itself in diffuse scattering observed on hkl layers with uneven l values. Simulations based on an Ising-type model with geometric frustration align well with the experimental data, providing insight into the short-range anti­ferro-like arrangement of disordered hypo­di­phos­phate anions.

powder diffraction, electron diffraction, silver hypo­di­phos­phate, diffuse scattering, real structure, geometric frustration

CC-BY

http://dx.doi.org/10.1107/S2053229626005012