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

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 5
Enthalpies for 27 candidate configurations compared to that of configuration 1 calculated from the DFT structure optimizations. The configuration numbers correspond to those defined in Table S1. The enthalpy for configuration 1 is drawn with a red symbol.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

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

https://doi.org/10.1107/S205252062400903X

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page

Copyright © International Union of Crystallography
Home Contact us Site index About us Partners and site credits Help Terms of use Privacy and cookies

The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.