High-resolution XANES S L<sub>3,2</sub> edge spectra collected from a series of iron-bearing sphalerite(Zn,Fe)S minerals
Bibliographic record
Abstract
High-resolution S L 3,2 -edge XANES spectra have been collected from a series of high-quality sphalerite samples. Each of the sphalerite samples examined has a characteristic iron concentration, and the range is from <0.01 to 14.79 wt% Fe. The structures of the S L 3,2 -edges are investigated by comparing ab initio calculated spectra with experimentally measured S L 3,2 -edge spectra collected from synthetic ZnS sphalerite. The theoretical and experimental data provide evidence that S 2p electron transitions to empty S 3s and S 3d states can occur across an energy range above the absorption edge. A chemical shift, associated with iron to sulphur bonds, is identified, and for the first time, a pre-edge feature associated with S–Fe bonding in sphalerite is observed.Key words: XANES, zincblende, sphalerite, characteristic iron content, S L-edge structure, ab initio calculated spectra, density of states, pre-edge peak.
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How this classification was reachedexpand
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) | 0.000 | 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) | 0.000 | 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 teacher head, 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".