Barium trihydrogen tetrafluoride of the composition Ba(H3F4)2: The first example of homoleptic HF metal environment

Single crystals of the composition Ba(H3F4)2 were obtained from an anhydrous hydrogen fluoride (aHF) solution of BaF2, in the presence of XeF2 and excessive PF5. The compound crystallizes in a hexagonal P6¯2c space group with a=7.7756(12) Åa=7.7756(12) Å, c=12.650(3) Åc=12.650(3) Å, V=662.4(2) Å3V=662.4(2) Å3 and Z=4Z=4. The coordination sphere of barium atom consists of twelve fluorine atoms from HF molecules forming regular icosahedra. Metal and fluorine atoms form infinite three-dimensional network. HF molecules are bonded via F− anions to H3F4− anions. The Ba(H3F4)2 compound represents the first known example of homoleptic HF environment of the metal cation.

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