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银虫 (小有名气)

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专业: 光化学和辐射化学

[交流] 【请教】六配位八面体畸变量咋算？已有1人参与

Two Mo-O(oxygen atoms from SeO32- groups) bonds are significantly longer than the remaining Mo-O bonds. The trans O-Mo-O angles are in the range of 154.0(2)-170.4(2), and those of the cis ones are in the range of 77.4(2)-101.7-(2), both are significantly deviated from ideal 180 and 90. Hence, theMoO6 octahedra are severely distorted. Mo(1) is distorted towardO(5) 3 3 3 O(6) edge (localC2 direction) with two “short” (1.711(4) and 1.715(4) A ° ), two “normal” (1.937(2) and 1.937(3) A ° ), and two “long” (2.177(4) and 2.210(3) A ° ) Mo-O bonds (Table 2). Taking into account the six Mo-O bond lengths as well as the deviations of the three trans O-Mo-O bond angles from 180, the magnitudes of the distortion (Δd) was calculated to be 0.98 A °
这段文献中的Δd如何计算？

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