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根据B.E.沃伦(Warren,1929)和W.L.布雷格(Bragg,1929)的测定,透辉石中的Fe~(2+)离子有两种占位情况:M_1占位的Fe~(2+)有六个配位氧原子,与正八面体配位相近似;M_2占位的Fe~(2+)也有六个配位氧原子,但较正八面体配位有很大的畸变。 W.B.怀特(White,1966)和K.L.基斯特(Keester,1966)用非偏振吸收光谱方法测定了含5％CaFeSi_2O_6的透辉石样品的三条吸收带为13600cm~(-1)、9730cm~(-1)、4420cm~(-1)。肯定了强吸收带9730cm~(-1)是由M_1位的Fe~(2+)离子的d电子在晶场分裂能级间自旋允许跃迁引起的,弱吸收带13600cm~(-1)象是属于Fe~(2+)离子的,宽而弱的带4420cm~(-1)象是由少量的四配位Fe~(2+)离子引起的。
According to the results of BE Warren (1929) and WL Bragg (1929), there are two kinds of Fe 2+ ions in diopside: Fe ~ (2+) There are six coordination oxygen atoms, which are similar to those of octahedron. There are six coordination oxygen atoms in Fe ~ (2+) which occupy M_2, but there is a great distortion in the coordination octahedron. The three absorption bands of diopside samples containing 5% CaFeSi 2 O 6 were determined to be 13600 cm -1 and 9730 cm -1 by WB (White, 1966) and KLester (1966) 1), 4420cm -1. It is confirmed that the strong absorption band 9730cm -1 is caused by the spin-allowed transition of the d electron of the Fe 2+ ion at the M_1 position in the crystal field, and the weak absorption band of 13600cm -1 Belongs to the Fe 2+ ion and the broad and weak band 4420 cm -1 is caused by a small amount of tetracoordinate Fe 2+ ions.