Far-infrared spectra of synthetic [4][(Al2-xGax)(Si2-yGey)](OH,OD,F)2-kinoshitalite: Characterization and assignment of interlayer Ba-Oinner and Ba-Oouter stretching bands
Bibliographic record
Abstract
Far-infrared spectroscopy and X-ray diffraction Rietveld structure-refinement of synthetic kinoshitalite (Kn) solid solutions, BaMg 3 [(Al 2-x Ga x )(Si 2-y Ge y )]O 10 (OH,OD,F) 2 : (x = 0.0-2.0, y = 0.0-2.0), show that there is complete solid solution for all compositions in each (OH/OD)- and F-series: [4] [Al 2 (Si 2-y Ge y )]-, [4] [(Al 2-x Ga x )Si 2 ]-, [4] [Ga 2 (Si 2-y Ge y )]-, [4] [(Al 2-x Ga x )Ge 2 ]-Kn, and in OH/OD-for-F substituted [4] (Al 2 Si 2 )-, [4] (Ga 2 Si 2 )-, [4] (Al 2 Ge 2 )-, [4] (Ga 2 Ge 2 )-Kn end-member compositions. In the far-infrared region, 170-40 cm -1 , three kind of bands are observed; an in-plane tetrahedral torsional mode, an interlayer Ba-O inner stretching vibration and a Ba-O outer stretching vibration. With increasing tetrahedral [4] Al-for- [4] Ga and Si-for-Ge substitution, the frequencies and intensities of the tetrahedral in-plane torsional bands decrease in both the (OH/OD)- and F-bearing phases, but in the [4] (Al 2 Si 2 )-, [4] (Ga 2 Si 2 )-, [4] (Al 2 Ge 2 )-, [4] (Ga 2 Ge 2 )-Kn end-member compositions, the frequencies are unaffected by (OH/OD)-for-F substitution. The frequencies of both the Ba-O inner and Ba-O outer stretching bands increase with increasing [4] Al-for- [4] Ga and Si-for-Ge substitution, but the frequencies of the Ba-O inner stretching bands decrease with increasing (OH/OD)-for-F substitution in the [4] (Al 2 Si 2 )-, [4] (Ga 2 Si 2 )-, [4] (Al 2 Ge 2 )-, [4] (Ga 2 Ge 2 )-Kn end-member compositions. The frequency difference between the Ba-O inner and Ba-O outer stretching bands is linearly related to the tetrahedral rotation angles (α), and these differences are about 10 cm -1 larger in the (OH/OD)-bearing phases than in the corresponding F-bearing phases. The ranges of absorption frequencies and their corresponding deformation modes are as follows: (1) inplane tetrahedral torsional mode, 105-150 cm -1 ; (2) Ba-O inner stretching vibration, 105-140 cm -1 ; and (3) Ba-O outer stretching vibration, 75-90 cm -1 .
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.002 | 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".