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barium fluoride : ウィキペディア英語版
barium fluoride

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Barium fluoride (BaF2) is a chemical compound of barium and fluorine and is a salt. It is a solid which can be a transparent crystal. It occurs in nature as the mineral frankdicksonite.
==Structure==
The solid adopts the fluorite structure and at high pressure the PbCl2 structure. In the vapor phase the BaF2 molecule is non-linear with an F-Ba-F angle of approximately 108°. This is an exception to VSEPR theory which would predict a linear structure. Ab initio calculations have been cited to propose that contributions from d orbitals in the shell below the valence shell are responsible. Another proposal is that polarisation of the electron core of the barium atom creates an approximately tetrahedral distribution of charge that interacts with the Ba-F bonds.

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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