Redetermination of the structure of 5C pyrrhotite at low temperature and at room temperature
Bibliographic record
Abstract
The crystal structure of a 5C pyrrhotite from Silberberg Mine, Bodenmais, Germany, has been determined at 120 and 293 K in space group P21. The low-temperature structure refined to R = 0.0261 for 5727 data with Io > 2σ(Io) and R = 0.0354 for all 7121 data. The room-temperature structure of the same crystal refined to R = 0.0383 for 2471 data with Io > 2σ(Io) and R = 0.0550 for all 3419 data. In addition, the diffraction data of a 5C pyrrhotite crystal from Copper Cliff Mine, Sudbury, Canada, previously refined in space group Cmce, has been transformed and also refined in space group P21. This structure refined to R = 0.0441 for 2701 data with Io > 2σ(Io) and R = 0.0672 for all 3843 data, which is a substantial improvement over the previous refinement. The structure is characterized by iron vacancy avoidance within a layer, and with partially occupied sites projecting on top of each other in adjacent layers. Two half-occupied sites and two sites each with occupancy of 0.88 are present in the Bodenmais structure, together with one site with occupancy of 0.28. The distribution in the crystal from Sudbury is slightly different and cannot be described with the same number of partially occupied sites. Broadly, however, the two structures are similar.
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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 | 0.000 | 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 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".