Crystal morphology has a significant effect on the properties and applications of energetic materials (EMs). Here, we have combined the single-crystal X-ray diffraction (SCXRD) and rotation imaging techniques to study the crystal habit of high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in different solvents. The Miller index and area of the exposed facets have been determined for the HMX crystals grown in acetone and dimethyl sulfoxide (DMSO). For the crystals grown in acetone, the exposed facets have the morphology importance in the order of (011) > (110) > (020) > (101̅), while for those grown in DMSO the order is (011) ≈ (110) > (020) > (101) > (101̅). This indicates that DMSO can significantly decrease the growth rate of the (110) and (101) planes of the HMX crystal compared to acetone, which has not yet been reported. These results provide clear experimental evidence for the evaluation of the crystal morphology prediction of HMX by theoretical calculation and will be an important reference to the morphology control of EMs.

中文翻译：

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丙酮和二甲基亚砜中高爆炸性八氢-1,3,5,7-四硝基-1,3,5,7-四唑啉（HMX）晶体习性的实验研究

晶体形态对高能材料（EMs）的特性和应用有重要影响。在这里，我们结合了单晶X射线衍射（SCXRD）和旋转成像技术，研究了高爆炸性八氢-1,3,5,7-四硝基-1,3,5,7-四唑啉（ HMX）在不同的溶剂中。对于在丙酮和二甲基亚砜（DMSO）中生长的HMX晶体，已经确定了Miller指数和裸露面的面积。对于在丙酮中生长的晶体，裸露的切面在形态上的重要性依次为（011）>（110）>（020）>（101̅），而对于在DMSO中生长的晶体，其顺序为（011）≈（110） >（020）>（101）>（101̅）。这表明与丙酮相比，DMSO可以显着降低HMX晶体的（110）和（101）面的生长速率，尚未被报道。这些结果为理论计算评估HMX的晶体形态预测提供了明确的实验证据，将为EM的形态控制提供重要参考。