Cation ordering in the double tungstate LiFe(WO4)2

Marjorie Albino (1) , Stanislav Pechev (1) , Philippe Veber (2, 3, 1) , Matias Velázquez (1) , Michaël Josse (1)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 CNRS - Centre National de la Recherche Scientifique
3 UVT - Universitatea de Vest din Timișoara [România] = West University of Timișoara [Romania] = Université Ouest de Timișoara [Roumanie]

Single crystals of lithium iron tungstate, LiFe(WO4)2, were obtained using a high-temperature solution growth method. The analysis was conducted using the monoclinic space group C2/c, with [beta] = 90.597 (2)°, giving R1 = 0.0177. The Li and Fe atoms lie on twofold axes. The structure can also be refined using the orthorhombic space group Cmcm, giving slightly higher residuals. The experimental value of [beta] and the residuals mitigate in favour of the monoclinic description of the structure. Calculated bond-valence sums for the present results are closer to expected values than those obtained using the results of a previously reported analysis of this structure.

Mots clés: Crystal structure; Crystallography; Inorganic compounds

Domaines: Matériaux

Marjorie Albino, Stanislav Pechev, Philippe Veber, Matias Velázquez, Michaël Josse. Cation ordering in the double tungstate LiFe(WO4)2. Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2012, 68 (2), pp.i7-i8. ⟨10.1107/S0108270111053832⟩. ⟨hal-00663471⟩