title: Powder neutron diffraction of Tl2BeF4 at six temperatures from room temperature to 1.5 K.
abstract: 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 beta-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 beta-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 TlI lone pair but does not indicate a possible structural instability.
authors.affiliation: Departamento de Física Fundamental II, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, E-38204 La Laguna, Tenerife, Islas Canarias, Spain. idasilva@ull.es
authors.forename: Iván
authors.initials: I
authors.lastname: da Silva
authors.forename: Cristina
authors.initials: C
authors.lastname: González-Silgo
authors.forename: Javier
authors.initials: J
authors.lastname: González-Platas
authors.forename: Juan
authors.initials: J
authors.lastname: Rodríguez-Carvajal
authors.forename: María Luisa
authors.initials: ML
authors.lastname: Martínez-Sarrión
authors.forename: Lourdes
authors.initials: L
authors.lastname: Mestres