Abstract
overite, [Mg(H2O4]2[Ca2Al2(OH)2(PO4)4], Z = 4, a = 14.723(14), b = 18.746(16), c = 7.107(4) A, orthorhombic, space group Pbca; and segelerite, [Mg(H2O)4]2, Z = 4, a = 14.826(5), b = 18.751(4), c = 7.307(1) A, orthorhombic, space group Pbca, are related in a combinatorial way to jahnsite, [Mg(H2O)4]2, Z = 2, a = 14.94(2), b = 7.14(1), c = 9.93(1) A, β = 110.16(8)°, monoclinic, space group P2/a. R = 0.090 for 19l5 reffections (overite) and 0.236 for 2387 reflections (segelerite).
Overite, segelerite, and jahnsite are based on dense slabs of composition whose maximal symmetry is Bmam. Linkages to the slabs by [Mg(Op)2(H2O)4] octahedra determine the discrete kinds of isomerism. In overite and segelerite, the arrangement is trans-[Mg(OP)2(H2O)4], and in jahnsite it is alternately cis-[Me(OP)2(H2O)4] and trans-[Mg(OP)2(H2O)4], where OP is a phosphate oxygen.
Overite, which is well-refined, has average distances (6)Ca-O 2.40, (6)Al-O 1.91, (6)Mg-O 2.08, (4)P(1)-O 1.54, and (4)P(2)-O 1.54A. A herring-bone pattern of hydrogen bonds is arranged normal to the [010] direction.