Bibliographic record
Abstract
R factor = 0.036; wR factor = 0.058; data-to-parameter ratio = 24.9. Single crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2 and ZrF4 in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22 and can be described as being composed of layers with composition [Zr3F20] 8 made up from two different [ZrF8] 4 square antiprisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca2+ cations, forming a three-dimensional network. Amongst the four crystallographically different Ca2+ ions, three are located on twofold rotation axes. The Ca2+ ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca2+ ions occupy interstices between the layers whereas the other two are located in void spaces of the [Zr3F20] 8 layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin. Related literature For the isotypic Sr analogue, see: Le Bail (1996). The crystal chemistry of fluorides has been reviewed by Babel & Tressaud (1985). For phase relationships in the CaF2–ZrF4 system, see: L’Helgoualch et al. (1971); Kotsar et al. (1973); Ratnikov et al. (1977); Laval et al. (1987). For bond-valence analysis, see:
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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 | 0.012 | 0.012 |
| Meta-epidemiology (narrow) | 0.008 | 0.003 |
| Meta-epidemiology (broad) | 0.013 | 0.005 |
| Bibliometrics | 0.013 | 0.018 |
| Science and technology studies | 0.012 | 0.003 |
| Scholarly communication | 0.005 | 0.008 |
| Open science | 0.010 | 0.006 |
| Research integrity | 0.005 | 0.008 |
| Insufficient payload (model declined to judge) | 0.318 | 0.174 |
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; the direct Gemma label and the distilled Codex classifier agree on what is shown here.
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".