Empirically testing vaterite structural models using neutron diffraction and thermal analysis

Chakoumakos, Bryan C.; Pracheil, Brenda M.; Koenigs, Ryan; Bruch, Ronald; Feygenson, Mikhail

doi:10.1038/srep36799

Empirically testing vaterite structural models using neutron diffraction and thermal analysis

Journal Article · Thu Nov 17 23:00:00 EST 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep36799· OSTI ID:1333067

Chakoumakos, Bryan C. ^[1]; Pracheil, Brenda M. ^[2]; Koenigs, Ryan ^[3]; Bruch, Ronald ^[3]; Feygenson, Mikhail ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division
Wisconsin Dept. of Natural Resources, Oshkosh, WI (United States)

Otoliths, calcium carbonate (CaCO₃) ear bones, are among the most commonly used age and growth structures of fishes. Most fish otoliths are comprised of the most dense CaCO₃ polymorph, aragonite. Sturgeon otoliths, in contrast, have been characterized as the rare and structurally enigmatic polymorph, vaterite a metastable polymorph of CaCO₃. Vaterite is an important material ranging from biomedical to personal care applications although its crystal structure is highly debated. We characterized the structure of sturgeon otoliths using thermal analysis and neutron powder diffraction, which is used non-destructively. We confirmed that while sturgeon otoliths are primarily composed of vaterite, they also contain the denser CaCO₃ polymorph, calcite. For the vaterite fraction, neutron diffraction data provide enhanced discrimination of the carbonate group compared to x-ray diffraction data, owing to the different relative neutron scattering lengths, and thus offer the opportunity to uniquely test the more than one dozen crystal structural models that have been proposed for vaterite. Of those, space group P6₅22 model, a = 7.1443(4)Å , c = 25.350(4)Å , V = 1121.5(2)Å³ provides the best fit to the neutron powder diffraction data, and allows for a structure refinement using rigid carbonate groups.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Spallation Neutron Source

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1333067

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Significance of otolith calcium carbonate crystal structure diversity to microchemistry studies Pracheil, Brenda M.; George, Robert; Chakoumakos, Bryan C. Reviews in Fish Biology and Fisheries, Vol. 29, Issue 3 https://doi.org/10.1007/s11160-019-09561-3	journal	May 2019
Otoliths of sub‐adult Lake Sturgeon Acipenser fulvescens contain aragonite and vaterite calcium carbonate polymorphs Loeppky, Alison R.; Chakoumakos, Bryan C.; Pracheil, Brenda M. Journal of Fish Biology, Vol. 94, Issue 5 https://doi.org/10.1111/jfb.13951	journal	April 2019
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Empirically testing vaterite structural models using neutron diffraction and thermal analysis

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