Structure, thermal expansion and incompressibility of MgSO4·9H2O, its relationship to meridianiite (MgSO4·11H2O) and possible natural occurrences

Fortes, A.D.; Knight, K.S.; Wood, I.G.

doi:10.1107/S2052520616018266

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

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Figure 11
Unit-cell parameters of MS9 as a function of pressure from DFT calculations (athermal, WC GGA). Solid lines are least-squares fits of equation (6)

, the fitted parameters being listed in Table 4

. Panel (f) summarizes the relative variation of each unit-cell parameter with pressure. (g) Principal linear compressibilities and (h) volume compressibility of MS9 from DFT calculations (athermal, WC GGA). Panel (i) shows the angle between the stiffest direction in the crystal, $[{\buildrel\rightharpoonup\over \beta } _3]$ , and the c-axis.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 73| Part 1| February 2017| Pages 47-64

https://doi.org/10.1107/S2052520616018266

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