Annular dynamical disorder of the rare earth ions in a La<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> pyrochlore via single crystal synchrotron X-ray diffraction
Why this work is in the frame
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Bibliographic record
Abstract
Abstract The reciprocal lattices of a range of rare earth titanate and zirconate pyrochlores have recently been shown to exhibit an extremely characteristic diffuse intensity distribution identical in form to that characteristic of β -cristobalite implying the existence of β -cristobalite-like orientational disorder of essentially rigid, (O2)(R 3+ ) 4 tetrahedra within the pyrochlore structure type. A single crystal X-ray diffraction study of La 2 Zr 2 O 7 has been carried out utilizing synchrotron radiation in order to investigate this proposed orientational disorder and to determine an unknown oxygen atom fractional co-ordinate. An annular distribution of residual electron density is found around the average La ion positions in {111} planes perpendicular to the local O2–La–O2 directions and interpreted as implying that the La ions never in fact occupy the average 16d positions but rather are dynamically disordered around an annulus perpendicular to that direction in an exactly analogous manner to that which occurs in β -cristobalite.
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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 | 0.002 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.002 | 0.001 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 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 it