Cd(MoO)(TeO): A Polar 3D Compound Containing d-d SCALP-Effect Cations.

The new polar 3D cadmium molybdotellurite Cd(MoO)(TeO) was obtained by means of a high-temperature solid-state method. Cd(MoO)(TeO) is a monoclinic crystal system, and it exhibits the polar space group P2 (No. 4). The structure of Cd(MoO)(TeO) can be viewed as a complicated 3D architecture that is composed of distorted CdO (n = 6, 7) polyhedra, TeO trigonal pyramids, and MoO polyhedra. The compound features the first 3D NCS cadmium molybdotellurite with 1D 4- and 6-MR channels and a polar structure originating from the TeO groups, MoO groups, and displacements of d Cd cations. The results were further confirmed by calculations of the net polarization. The UV-vis spectrum and thermal properties indicate that Cd(MoO)(TeO) exhibits a broad transparent region and excellent thermal stability. SHG tests of Cd(MoO)(TeO) revealed that its response is approximately the same as that of KHPO at the same grain size between 105 and 150 μm and that it is phase-matchable.