Raman and FTIR Spectroscopy of Synthetic Amphiboles: I. The OH Librational Bands and the Determination of the OH-F Content of Richterites <i>via</i> Raman Spectroscopy
Bibliographic record
Abstract
Abstract Unpolarized FTIR and Raman spectra were collected in the regions 4000–4600 cm–1 (NIR) and 100–4000 cm–1 from previously synthesized and characterized amphiboles in the systems richterite–fluoro-richterite, potassic-richterite–potassic-fluoro-richterite, rubidium-richterite–rubidium-fluoro-richterite, and potassic-richterite–deuterated potassic-richterite. The NIR spectra of Na-, K-, and Rb-richterites have peaks at 4325, 4210 cm–1, and 3735–3730 cm–1. All three peaks decrease in intensity with increasing F content, indicating that the higher-energy peaks are combination bands involving the principal OH-stretch at 3735–3730 cm–1 and two OH-libration modes, the frequencies of which can be calculated from the relation ωcombination ≈ ωOH + ωlibration; these are 590 and 475 cm–1, respectively. The FTIR spectra of the richterite–fluoro-richterite and potassic-richterite–potassic-fluoro-richterite series show decreasing intensity and eventual disappearance of the band at ∼600 cm–1 with increasing F in accord with the assignment of this band as due to OH-libration. Raman spectra of the potassic-richterite–deuterated potassic-richterite amphiboles in the low-energy region show the disappearance of two peaks at 585 and 473 cm–1 that we have assigned to OH-libration modes. Collectively, these spectroscopic results indicate that there are two OH-libration modes at ∼590 and ∼475 cm–1 in these synthetic richterites and, by implication, in all monoclinic OH-bearing amphiboles with filled A sites. Similarly to FTIR, the relative intensities of the stretching modes associated with OH-A-OH and OH-A-F local configurations in the Raman spectra provide a reliable estimation of the F content in these A site-filled amphiboles.
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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".