SYNCHROTRON X-RAY ELECTRON-DENSITY IN THE LAYERED LAOCL STRUCTURE

The deformation density np in lanthanum oxychloride, LaOCl, has been d etermined for a small, naturally faced single crystal using 0.7 Angstr om synchrotron X-radiation. Accumulation of electron density in the in terlayer region stabilizes the structure that contains layers of posit ively charged Cl atoms. Space group P4/nmm, tetragonal, M(r) = 190.36, a = 4.1198 (7), c = 6.883 (2) Angstrom, V = 116.8(5) Angstrom(3), Z = 2, D-x = 5.411 Mg m(-3), mu(0.7) = 17.28 mm(-1), F(000) = 164, T = 29 3 K, R = 0.011, wR = 0.011, S = 1.98 (7) for 416 unique reflections.