Powder neutron diffraction of Tl2BeF4 at six temperatures from room temperature to 1.5 K

The structure of thallium fluoro­beryllate, Tl₂BeF₄, has been analysed by the Rietveld method on neutron diffraction patterns collected at 1.5, 50, 100, 150, 200 and 300 K, with the aim of detecting low‐temperature instabilities. Atomic parameters based on the isomorphic β‐K₂SO₄ crystal in the paraelectric phase were used as the starting model at room temperature; no evidence for any phase transition has been detected at lower temperature. The structure was determined in the ortho­rhom­bic space group Pnma. All the atoms (except one F atom) occupy sites with m symmetry. We have compared the structure with those of other compounds of the β‐K₂SO₄ family, at room temperature, in order to gain insight into their observed instabilities. The irregular coordination of the cations may indicate stereochemical activity of the Tl^I lone pair but does not indicate a possible structural instability.