Synchrotron X-ray electron density in the layered LaOCl structure

Abstract

The deformation density Δρ in lanthanum oxychloride, LaOCl, has been determined for a small, naturally faced single-crystal using 0.7 Å synchrotron X-radiation. Accumulation of electron density in the interlayer region stabilizes the structure that contains layers of positively charged Cl atoms. Space group P4/nmm, tetragonal, Mr = 190.36, a = 4.1198 (7), c = 6.883 (2) Å, V = 116.8 (5) Å3, Z = 2, Dx = 5.411 Mg m−3, μ 0.7 = 17.28 mm−1, F(000) = 164, T = 293 K, R = 0.011, wR = 0.011, S = 1.98 (7) for 416 unique reflections.