Materials Data on BaClF by Materials Project
BaFCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. There are one shorter (3.24 Å) and four longer (3.34 Å) Ba–Cl bond lengths. All Ba–F bond lengths are 2.69 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.
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