Science. 1971 Apr 16;172(3980):263-4. doi: 10.1126/science.172.3980.263.
The electrostatic energy of the 2M(1) muscovite structure, KAl(2)(Si(3)Al)- O(10)(OH)(2), has been calculated as a function of the orientation of the hydroxyl group (O-H distance = 0.97 angstrom). The minimum in the electrostatic energy occurs when the OH bond makes an angle of 18 degrees with the cleavage plane and an angle of 31 degrees with the b-axis (in the a-b plane), which is 2.5 degrees away from the orientation of the transition moment as determined from infrared measurements on single crystals. If the K+ ion is excluded from the calculation, the O-H bond makes an angle of 53 degrees with the cleavage plane. This indicates the strong influence that the interlayer cation exerts on the hydroxyl hydrogen in mica structures.
白云母 2M(1)结构的静电能，KAl(2)(Si(3)Al)-O(10)(OH)(2)，已被计算为羟基（O-H 距离=0.97 埃）取向的函数。当 OH 键与解理面成 18 度角且与 b 轴（在 a-b 平面内）成 31 度角时，静电能达到最小值，这与从单晶红外测量确定的跃迁矩取向相差 2.5 度。如果将 K+离子排除在计算之外，则 O-H 键与解理面成 53 度角。这表明层间阳离子对云母结构中羟基氢的强烈影响。
