<i>P</i> 4/ <i>n</i> and <i>P</i> 4 <i>nc</i> long-range ordering in low-temperature vesuvianites
Bibliographic record
Abstract
Low-temperature vesuvianites crystallize in the two space groups P4/n or P4nc due to different arrangements of Ca-dodecahedra and M 2+,3+ square pyramids that form strings along the fourfold axes. Long-range ordered vesuvianites of acentric P4nc symmetry may have the same diffraction symmetry as centrosymmetric disordered P4/nnc vesuvianites. In contrast, P4/n long-range ordered vesuvianites exhibit glide plane violating reflections and can easily be identified. We report the first successful Xray single-crystal structure refinement of a P4nc vesuvianite, a = 15.487(2), c = 11.764(2) Å from the N’chwaning II mine of the Kalahari manganese fields (RSA). This untwinned crystal has Cu 2+ and Mn 2+ , Mn 3+ forming the square pyramid and exhibits an acentric ordering pattern with 85% string A and 15% string B. This is compared to a reinvestigation of the structure of a P4/n vesuvianite from Asbestos Quebec (Canada), a = 15.531(2), c = 11.817(2) Å. The crystal is composed of a merohedral (110) twin with a close to 1:1 twin ratio and has mainly Fe 3+ in square pyramidal coordination. In this centric structure, string A is 84% and string B is 16% occupied. Criteria to determine the symmetry of low-temperature vesuvianites, studied by diffraction experiments, are discussed.
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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".