THE STRUCTURAL ROLE OF EXCESS Cu AND Pb IN GLADITE AND KRUPKAITE BASED ON NEW REFINEMENTS OF THEIR STRUCTURE
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Bibliographic record
Abstract
Crystal structures of stoichiometric gladite (empirical formula Cu1.32Pb1.37Bi6.65S12.03) and krupkaite (empirical formula Cu2.00Pb2.03Bi5.99S12.04) from Felbertal, Austria, were refined to R1 = 0.045 and 0.037, respectively, yielding improved positional parameters and interatomic distances. Structures of “oversubstituted ” gladite with an excess of Pb + Cu substitution for Bi + tetrahedral vacancy (empirical formula Cu1.55Pb1.59Bi6.43S12.02, percentage of the aikinite end-member, naik = 39), of “undersubstituted ” krupkaite (Cu1.85Pb1.92Bi6.12S12.06, naik = 47), and of “oversubstituted ” krupkaite (Cu2.32Pb2.40Bi5.64S12.16, naik = 59) from the same locality, were refined to the R1 values of 0.041, 0.051, and 0.052, respectively. Additional copper (occupancy 0.22) forms a broadly zig-zag pattern in each 1 subcell of gladite. In “undersubstituted ” krupkaite (naik = 47), the regular Cu position (Cu 1) was found to be slightly undersaturated. The “oversubstituted ” krupkaite (naik = 59) contains additional Cu, located in the Cu 2 sites situated half-way between the fully occupied Cu 1 positions. Fixing their occupancy to 0.18, in agreement with EPMA data, and refining the adjacent large cation sites as two sites, with 0.18 Pb and 0.82 Bi, respectively, yielded the final model refined here. Interatomic distances and other characteristics of the polyhedra are used to evaluate the effects of cation substitution.
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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 | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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