Materials Data on CaClF by Materials Project
CaClF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. There are four shorter (2.98 Å) and one longer (3.12 Å) Ca–Cl bond lengths. All Ca–F bond lengths are 2.38 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Ca2+ atoms. F1- is bonded to four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing FCa4 tetrahedra.
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