Langbeinite-type inorganic compounds
have a wide range of applications,
but nonlinear-optical properties are rarely mentioned in this series.
Here, we report a new orthophosphate, LiCs2Y2(PO4)3, with a langbeinite-type structure,
which is the first example in the system of mixed alkali-metal yttrium
phosphates. Notably, LiCs2Y2(PO4)3 exhibits a moderate second-harmonic-generation efficiency
of 0.9KH2PO4 and is transparent down to 200
nm. In addition, the thermal stability and theory calculations, including
the electronic band structure, second-order nonlinear-optical coefficients,
and dipole moment analysis, are also reported. This work not only
expands the langbeinite-type system but also inspires a study on their
nonlinear-optical properties.