【摘要】 <正> 根据B.E.沃伦（Warren,1929）和W.L.布雷格（Bragg,1929）的测定,透辉石中的Fe²⁺离子有两种占位情况:M₁占位的Fe²⁺有六个配位氧原子,与正八面体配位相近似;M₂占位的Fe²⁺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％CaFeSi₂O₆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M₁位的Fe²⁺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Fe²⁺离子的,宽而弱的带4420cm^-1象是由少量的四配位Fe²⁺离子引起的。更多还原

【Abstract】 Energy levels have been successfully calculated of M₁ site occupancy in diopside by using 3d radical Wave function of Fe²⁺ ion proposed by Zhao. In order of increasing energy they are:E（XZ）=E（YZ）, E（XY）, E（Z²）, E（X²-Y²） corresponding to absorption bands 740 cm^-1, 8090 cm^-1 and 10020 cm^-1, respectively. The latter two bands are in agreement with available experimental results and the calculated first band may be checked by Mossbatter’s spectroscopic method. The stabilization energy of the crystal field is 10.8 kcal/mol, which is also supported by experimentation.更多还原