Reply to “Comment on ‘Roles of Hydration and Magnetism on the Structure of Ferrihydrite from First Principles’”

Journal Article · Fri Jun 28 00:00:00 EDT 2019 · ACS Earth and Space Chemistry

DOI:https://doi.org/10.1021/acsearthspacechem.9b00160· OSTI ID:1567728

Sassi, Michel JPC  ^[1]; Rosso, Kevin M.  ^[1]

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1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

In the comments made by Manceau on the study by Sassi and Rosso, some concerns were raised regarding the potential for the structure theoretically found and identified as ferrihydrite (Michel model) to be hydromaghemite. In this reply, we address these concerns by showing that the structure theoretically generated cannot be unambiguously compared to hydromaghemite. Many of the concerns raised are, in fact, oblique to the given study. Notwithstanding, we reiterate clearly stated methodological details and caveats regarding the theoretical structural search performed, which disallow for the hydromaghemite prospect to manifest. We furthermore highlight the scholarly importance of examining experimental X-ray diffraction (XRD) and pair distribution function (PDF) of synthesized ferrihydrite samples from a variety of independent sources, as embodied in a broader set of relevant literature.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• Grant/Contract Number: AC05-76RL01830
• OSTI ID: 1567728
• Report Number(s): PNNL-SA-147743
• Journal Information: ACS Earth and Space Chemistry, Vol. 3, Issue 8; ISSN 2472-3452
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

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