Mixed complexes in the structures of Zr-phosphates and silicates
Bibliographic record
Abstract
The crystal structure of kutinaite was determined from powder data on a synthetic sample obtained from pure elements at 623 K. The data were collected on a Guinier diffractometer and reflection intensitites extracted by profile-fitting assuming a cubic P lattice. The structure was solved by direct methods and then refined by Rietveld method to Rp = 13.4% and RB = 1.8%. The cubic structure has a = 11.78079(2) and space group Pm3m, Z=4. Apart from partially ordered Cu vacancies, the atomic arrangement is practically consistent with Fm3m symmetry, and it is suggested that it is the true symmetry of the high-temperature modification which is supposed to host dynamically disordered vacancies. Cu atoms in partially occupied positions (24/32 per unit cell) are tetrahedrally coordinated by As, while the atoms in fully occupied positions have trigonal planar As coordinations. Ag forms octahedral Ag6 clusters (Ag-Ag bonds = 2.95-3.05 ) in octahedral cavities of the Cu-As framework. In the latter, alternativelly, supertetrahedra and cuboctahedra of As-coordinated Cu clusters can be delineated. 1/7 of As atoms are hexahedrally coordinated by Cu atoms, while 6/7 are in somewhat distorted icosahedral coordinaitons by 8 Cu and 4 Ag atoms. A multitude of metal-metal (Cu-Cu, Ag-Ag, and Ag-Cu) and metal-semimetal contacts allows an alternative description of kutinaite as a complex alloy with predominantly icosahedral mutually interpenetrating coordinations.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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 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".