Bifurcated CN Group in Hexacyanometallates, the Case of Cd<sub>2</sub>[Fe(CN)<sub>6</sub>]. Structure Determination from a Combination of RDF and Direct Methods
Bibliographic record
Abstract
The crystal structure of anhydrous cadmium hexacyanoferrate (II), Cd 2 [Fe(CN) 6 ], has been solved from powder diffraction data using information extracted from low resolution radial distribution function. Such anhydrous solid is obtained by soft heating of its parent octahydrate. The radial distribution function proves to be useful for observing changes in heavy atoms interatomic distances in the structure during phase transition related to the material dehydration process. These distances were then used for guessing the heavy atom positions from the direct methods results. Cd 2 [Fe(CN) 6 ] crystallizes in the hexagonal system, space group P - 3 (147) and cell parameters: a = 6.32046(5) and c = 6.33786(10)Å. The structure was refined to final agreement factors of R wp = 6.26% and S = 1.99. The proposed structural model is supported by the obtained information from Mössbauer, IR and Raman spectra.
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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 | 0.002 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| 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".