Zharchikhite, AlF(OH)2: a novel structure type related to α-PbO2

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2024 Feb 1;80(Pt 1):38-41. doi: 10.1107/S2052520623010491. Epub 2024 Jan 9.

Abstract

The crystal structure of zharchikhite, AlF(OH)2, from the Zharchikhinskoe deposit (Buryatia, Russia) is solved here using single-crystal X-ray diffraction. The mineral is monoclinic, space group P21/c, a = 5.1788 (4), b = 7.8386 (4), c = 5.1624 (4) Å, β = 116.276 (10)°, V = 187.91 (3) Å3 and Z = 4. Zharchikhite demonstrates a novel structure type roughly related to the α-PbO2 structure type and different from other compounds of the Al-F-OH system. The crystal structure of zharchikhite is based on the octahedral pseudoframework built from zigzag chains of edge-sharing AlF2(OH)4 octahedra; adjacent chains are linked via F vertices and the pseudoframework contains wide channels.

Keywords: Zharchikhinskoe deposit; aluminium hydroxyfluoride; aluminofluoride; crystal structure; zharchikhite; α-PbO2 structure type.