ChemInform Abstract: Syntheses, Structures, and Properties of RbScFAsO4 and CsScFAsO4: Scandium-Containing Analogues of Potassium Titanyl Phosphate (KTiOPO4).

The syntheses, single-crystal structures, and some properties of RbScFAsO4, and CsScFAsO4, the first scandium-containing analogues of potassium titanyl phosphate (KTiOPO4), are reported. In both phases, the distinct cis and trans ScO4F2 octahedra are essentially regular and lack the distinctive short TiO bonds seen in KTiOPO4. The powder second harmonic generation responses of these phases are much smaller that that of KTiOPO4. Crystal data:  RbScFAsO4, Mr = 288.34, orthorhombic, space group Pna21 (no. 33), a = 13.687(4) A, b = 6.804(2) A, c = 11.248(2) A, V = 1047.5(5) A3, Z = 8, R = 3.15%, Rw = 3.95% [1807 reflections with I > 2σ(I)]; CsScFAsO4, Mr = 335.78, orthorhombic, space group Pna21 (no. 33), a = 13.900(2) A, b = 6.9413(8) A, c = 11.219(2) A, V = 1082.4(2) A3, Z = 8, R = 3.65%, Rw = 4.14% [2205 reflections with I > 3σ(I)].