Abstract
A specimen of iron-rich bustamite from the Broken Hill deposit (Australia) has been studied by single-crystal X-ray diffraction and by Mossbauer and IR spectroscopy. The triclinic unit-cell parameters are as follows: a = 7.1301(4) A, b = 7.6940(3) A, c = 7.7345(4) A, α = 79.352(4)°, β = 62.951(6)°, γ = 76.149(3)°, V = 365.49(3) A3, sp. gr. \(P\bar 1\). The structure is solved by direct methods and refined to R = 5.22% based on 7298 reflections with |F| > 4σ(F). The mineral under study is similar in composition and structure to the Fe-rich bustamite described earlier. It is found that all iron atoms are in the divalent state and occupy the M1 and M3 sites in a ratio of 33: 67. The idealized formula of iron-rich bustamite from Broken Hill (Z = 1) is Mn2Ca2(Fe,Mn)Ca[Si3O9]2.
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