Refinement of the crystal structure of CaCrF5

The crystal structure of CaCrF5 is shown to belong to the centrosymmetric space group C2/c rather than Cc as reported by Dumora, Von der Mühll and Ravez (1). The introduction of anisotropic temperature factors into their model reduces R2 significantly from 0.102 and 0.083. The new refinement shows that the CrF6 octahedron is more nearly regular than previously reported (Cr-F ranges from 1.848 to 1.940A).