Abstract
The crystal structure of Ca1.00Sc0.84Ti0.27Al1.16Si0.78O6 pyroxene grown by the floating zone method has been refined by the least squares method using 741 reflections measured on an automatic single crystal diffractometer. The unweighted R factor is 0.027 for 670 unrejected reflections. The cell dimensions are; a0=9.925A;, b0=8.949A, c0=5.460A, β=105.77°, and V=466.75A3; space group C2/c. The octahedral (M1) site is occupied by Sc (84 at.%) and Ti (16 at.%). Within the tetrahedral (T) site, Si (36.5 at.%), Al (58 at.%) and Ti (5.5 at.%) ions are completely disordered. These facts mean that Al-O-Al bonds exist in this pyroxene chain and the aluminum avoidance rule has been violated in this structure.
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