The new polar 3D
cadmium molybdotellurite Cd3(MoO4)(TeO3)2 was obtained by means of a high-temperature solid-state
method. Cd3(MoO4)(TeO3)2 is a monoclinic crystal system, and it exhibits the polar space
group P21 (No. 4). The structure of Cd3(MoO4)(TeO3)2 can be viewed
as a complicated 3D architecture that is composed of distorted CdOn (n = 6, 7) polyhedra, TeO3 trigonal pyramids, and MoO4 polyhedra. The compound
features the first 3D NCS cadmium molybdotellurite with 1D 4- and
6-MR channels and a polar structure originating from the TeO3 groups, MoO4 groups, and displacements of d10 Cd2+ cations. The results were further confirmed by calculations
of the net polarization. The UV–vis spectrum and thermal properties
indicate that Cd3(MoO4)(TeO3)2 exhibits a broad transparent region and excellent thermal stability. SHG tests of Cd3(MoO4)(TeO3)2 revealed that its
response is approximately the same as that of KH2PO4 at the same grain size between 105 and 150 μm and that
it is phase-matchable.