Controlling Defect Fluorites via Oxidative Charge Ordering in Sc2V1-xMxO5+δ (M = Ti, Cr)
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Bibliographic record
Abstract
The scandium vanadate system contains a diverse family of structures including the bixbyite (s.g. Ia-3), defect fluorite (s.g. Fm-3m), zircon (s.g. I41/amd), and tetragonal-Sc2VO5 (s.g. I-4) structures. Here the structures of the scandium vanadates are determined by charge and size of cations, and oxygen stoichiometry. Consequently, redox chemistry can be used to control the oxidation state of vanadium and navigate between these structures. This thesis focuses on vanadium’s neighbouring elements, titanium and chromium, and investigates if similar chemistry can be conducted as for the scandium vanadates. A series of Sc2V1-xMxO5+δ (M = Ti and Cr) phases were prepared and a detailed structural analysis was conducted including x-ray and neutron diffraction, XANES and DC magnetic susceptibility measurements. Of particular interest is the tetragonal-Sc2VO5 structure. The vanadium sublattice within the tetragonal structure consists of two distinct crystallographic sites with octahedral and tetrahedral coordination. We show that the octahedral and tetrahedral sites can be individually controlled as demonstrated with the synthesis of tetragosnal-Sc2Ti0.8V0.2O5+δ where Ti4+ and V5+ occupy octahedral and tetrahedral sites, respectively. Notably the vanadium sublattice consists of tetrahedral motifs that are geometrically frustrated. Substitution of paramagnetic chromium into the tetrahedral site provides a route to tune magnetic interactions within the tetragonal I-4 structure.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it