Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12
A new mixed metal iodate compound, Ba3Ga2(IO3)12, is synthesized by a mild temperature hydrothermal method. Based on the single crystal XRD data, the crystal structure is solved and it shows that Ba3Ga2(IO3)12 crystallizes in the centrosymmetric trigonal space group of R (148) with unit cell parameters of a = b = 11.2465 Å and c = 11.2217 Å. In this compound, the [GaO6] and [IO3] units connect with each other to construct the isolated [GaI6O18] groups, which were only discovered in Ga(IO3)3. Interestingly, the [IO3] units in the [GaI6O18] group are directed along a circle in Ba3Ga2(IO3)12, while those in Ga(IO3)3 point perpendicular to the circle. Moreover, Ba3Ga2(IO3)12 is characterized by spectral analysis and first-principles calculations.