Hydrothermal preparation, structure and characterizations of noncentrosymmetric LiZnO(IO3)

• A new lithium zinc iodate, LiZnO(IO3), has been prepared by hydrothermal reactions.
• LiZnO(IO3) crystallizes in a noncentrosymmetric structure.
• SHG measurement shows a response of 2 × KH2PO4.
• LiZnO(IO3) is stable up to 490 °C.

A new lithium zinc iodate, LiZnO(IO3), has been prepared by hydrothermal reactions at 200 °C. Single-crystal X-ray diffraction experiment revealed that the compound crystallizes in a noncentrosymmetric orthorhombic space group Ama2 with cell parameters: a = 6.3386(6) Å, b = 11.2613(11) Å, c = 4.6840(5) Å, Z = 4. In the structure, the basic building units are the distorted ZnO6 octahedron, LiO4 tetrahedron and the IO3 group. These groups are linked together to form a three-dimensional structure by sharing the oxygen atoms. The DSC measurement demonstrates that the compound is stable up to 490 °C. Powder second-harmonic generation (SHG) test shows that the SHG effect is about 2 × KH2PO4.

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