“…The Na, Rb, and [Na 0.67 Ca 0.33 ] atoms reside in these tunnels, respectively, where Na atoms are located in a seven-coordination environment with Na-O bond lengths ranging from 2.369(6) to 2.546(3) Å, Rb atoms are located in an eight-coordination environment with Rb-O bond lengths ranging from 2.900 (6) Crystals 2017, 7, 10 2 of 9 structural unit to explore UV NLO materials. Additionally, it is well-known that the alkali metal and alkaline earth metal are ideal compositions in UV NLO materials because there are no electron transitions in the alkali metal-oxygen bond or alkaline earth metal-oxygen bond in the UV region [27][28]. Therefore, we expect that combining the [CO3] 2-groups with the alkali metal and alkaline earth metal will construct new kinds of UV NLO materials.…”