CRYSTAL CHEMISTRY OF SELENATES WITH MINERAL-LIKE STRUCTURES. III. HETEROPOLYHEDRAL CHAINS IN THE CRYSTAL STRUCTURE OF [Mg(H2 O)4(SeO4)]2(H2O)

Abstract

The crystal structure of a new compound [Mg(H2O)4(SeO4)]2(H2O) (monoclinic, P2 1/a, a = 7.2549(12), b = 20.059(5), c = 10.3934(17) Å, β = 101.989(13), V = 1479.5(5) Å3) has been solved by direct methods and refined to R 1 = 0.059 for 2577 observed reflections with |F hkl | ≥ 4σ|F hkl |. The structure consists of [Mg(H2O)4(SeO4)]0 chains formed by alternating corner-sharing Mg octahedrons and (SeO4)2− tetrahedrons. O atoms of Mg octahedrons that are shared with selenate tetrahedrons are in a trans orientation. The heteropoly-hedral octahedral-tetrahedral chains are parallel to the c axis and undulate within the (010) plane. The adjacent chains are linked by hydrogen bonds involving H2O molecules not bound with M2+ cations.