Crystal Structures of Three Polymorphs of Cs<sub>3</sub>ScF<sub>6</sub> by Means of Solid-State NMR, X-Ray, and Neutron Diffraction
Bibliographic record
Abstract
Three polymorphs were found to exist for Cs 3 ScF 6 in the room temperature range of up to 280 °C. Two phase transitions were identified by differential scanning calorimetry (DSC) analyses at 92 and 196 °C upon heating. In situ high-temperature solid-state NMR, synchrotron and laboratory X-ray diffraction, and neutron powder diffraction were used for structural characterization. The crystal structure of the high-temperature (γ) phase adopts the cubic Fm 3̅ m ( Z = 4) space group with a = 9.6048(7) Å at 250 °C. The other two polymorphs, α and β, have tetragonal symmetry with space groups I 4 1 / a (Z= 80) and I 4/ m (Z= 10), and lattice parameters are a = 21.15222(6) Å, c = 38.21648(8) Å and a = 15.0401(2) Å, c = 9.6341(2) Å at RT and 150 °C, respectively.
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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) | 0.001 | 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 | 0.001 |
| 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".