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Correlation between Hinckley index and stacking order-disorder in kaolinite

  • Wenxiu Rao , Xin Liu , Guocheng Lv ORCID logo , Meng Liu , Lijuan Wang , Jinan Niu , Zhaohui Li and Libing Liao
Published/Copyright: December 31, 2023
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American Mineralogist
From the journal American Mineralogist Volume 109 Issue 1

Abstract

Hinckley index (Hi) can be used to characterize the crystallinity of kaolinite. Stacking order-disorder in kaolinite can considerably affect its crystallinity. However, the correlation between Hi and stacking order-disorder in kaolinite has not been reported thus far. Herein, the correlation between stacking order-disorder in kaolinite and Hi was investigated via experiments (XRD, IR spectroscopy, TG-DSC), molecular simulation, and structure refinement. First, we experimentally discovered that the stacking order-disorder in kaolinite changed the relative position between two adjacent structural layers, mainly afecting the interlayer forces. When the kaolinite layers are orderly stacked, the interlayer force is higher and the stacking lattice energy is lower. The lattice energy of kaolinite in diferent stacking states was simulated and analyzed using first-principles calculation. It was determined that the kaolinite layers are orderly stacked when two kaolinite layers have zero shift and disorderly stacked otherwise. Finally, through structural refinements, we proposed a new crystallinity index based on stacking order-disorder in kaolinite (crystallinity index based on stacking, CIS). CIS was well fitted to Hi (R2 = 0.986), indicating that kaolinite crystallinity, characterized by Hi, is essentially the ratio of orderly stacking to total stacking (the sum of ordered and disordered stacks). Furthermore, measuring Hi is difficult when kaolinite crystallinity is poor; however, CIS can be used alternatively. This study of the crystallinity of kaolinite will have important significance for its industrial application.

Keywords: Kaolinite; stacking; order-disorder; structure refinement; crystallinity index; first-principles calculation

These authors contributed equally to this work and should be considered co-first.

Funding statement: This study is supported by the National Natural Science Foundation of China (42072053).

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Received: 2022-10-06
Accepted: 2023-02-17
Published Online: 2023-12-31
Published in Print: 2024-01-29

© 2024 by Mineralogical Society of America

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https://doi.org/10.2138/am-2022-8830
Keywords for this article
Kaolinite; stacking; order-disorder; structure refinement; crystallinity index; first-principles calculation

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  1. The search for a universal law of crystal growth: The law of proportionate effect?
  2. Crystal growth according to the law of proportionate effect
  3. Melt-mediated re-equilibration of zircon produced during meltdown of the Chernobyl reactor
  4. High-pressure behavior and structural transition of beryl-type johnkoivulaite, Cs(Be2B)Mg2Si6O18
  5. Subsolidus breakdown of armalcolite: Constraints on thermal effects during shock lithification of lunar regolith
  6. Melting and melt segregation processes controlling granitic melt composition
  7. Magmatic degassing controlled the metal budget of the Axi epithermal gold deposit, China
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  9. Two discrete gold mineralization events recorded by hydrothermal xenotime and monazite, Xiaoqinling gold district, central China
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