Structure of CaScAlSiO6-pyroxene.

Abstract
The crystal structure of CaScAlSiO6-pyroxene grown by the floating zone method has been refined by the least squares method using 680 reflections measured on an automatic single crystal diffractometer. The unweighted R factor is 0.020 for 587 unrejected reflections. The cell dimensions are: a0=9.884Å, b0=8.988Å, c0=5.446Å, β=105.86°, and V=465.43Å3; space group C2/c. The average T-O, Ml-0 and M2-0 distances are 1.695Å, 2.102Å and 2.513Å, respectively. The structure is isomorphous with those of already reported Ca-Tschermak's pyroxenes, CaAl2SiO6 and CaFeAlSiO6. The octahedral (M1) site is occupied by Sc. Within the tetrahedral (T) site, Si and A1 ions are completely disordered.

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