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It crystallises as the octahydrate, which converts to the monohydrate upon heating in air. At 100 C in a vacuum, the monohydrate will yield BaO and water.[3] The monohydrate adopts a layered structure (see picture above). The Ba2+ centers adopt a square antiprismatic geometry. Each Ba2+ center is bound by two water ligands and six hydroxide ligands, which are respectively doubly and triply bridging to neighboring Ba2+ centre sites.[4] In the octahydrate, the individual Ba2+ centers are again eight coordinate but do not share ligands.[5]
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