In Situ Powder X-ray Diffraction, Synthesis, and Magnetic Properties of the Defect Zircon Structure ScVO<sub>4−<i>x</i></sub>
Bibliographic record
Abstract
We report the formation pathway of ScVO 4 zircon from ScVO 3 bixbyite with emphasis on the synthesis and stability of the novel intermediate defect zircon phase ScVO 4− x (0.0 < x ≤ 0.1). The formation pathway has been investigated by means of thermogravimetric/differential thermal analysis and in situ powder X-ray diffraction. The oxidation of ScVO 3 to ScVO 4 involves two intermediates of composition ScVO 3.5+ y (0.00 ≤ y ≤ 0.22) and the novel phase ScVO 4− x . ScVO 4− x crystallizes in the defect zircon structure in space group I 4 1 / amd (141) with a = 6.77761(5) Å and c = 6.14045(8) Å. Oxygen defect concentrations in bulk ScVO 4− x samples range from 0.0 < x ≤ 0.1. ScVO 4− x is compared with the fully oxidized zircon structure ScVO 4 using powder X-ray diffraction, neutron diffraction, and bulk magnetic susceptibility data as well as 45 Sc and 51 V solid state NMR spectroscopy. ScVO 4− x can only be obtained by oxidation of ScVO 3 or ScVO 3.5+ y while the reduction of ScVO 4 does not yield the novel defect structure. Mechanistic insights into the oxidative formation of ScVO 4 via the defect structure are presented.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".