Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith

Jundullah Hanafi, M.I.; Bastonero, L.; Murshed, M.M.; Robben, L.; Dononelli, W.; Kirsch, A.; Marzari, N.; Gesing, T.M.

doi:10.1107/S2052252524009722

Figure 8
DFT–PDF optimized crystal structures of (a) 2 × 1 × 2 Mg²⁺ interstitial and (b) single unit cell Mg(1) Frenkel defects in comparison with the (c) pristine forsterite structure.

IUCrJ

Volume 11| Part 6| November 2024| Pages 977-990

ISSN: 2052-2525

https://doi.org/10.1107/S2052252524009722

MATERIALS | COMPUTATION

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