Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure

Yamashita, K.; Komatsu, K.; Hattori, T.; Machida, S.; Kagi, H.

doi:10.1107/S205252062400903X

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Structure of MgCl₂·7H₂O in configuration 1 optimized by DFT calculation. The close-up view of the hydrogen-bonded chain formed by water molecules is shown in the right panel. The hydrogen bonds with d(H⋯O) shorter than 2 Å are described by dashed lines. Interatomic H6A and O6 bond with d(H⋯O) = 2.16 Å are shown by dotted lines.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 80| Part 6| December 2024| Pages 695-705

https://doi.org/10.1107/S205252062400903X

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