Chemographic Exploration of the Milarite-Type Structure
Bibliographic record
Abstract
Abstract The milarite structure-type has an uncommonly large number of distinct mineral species (23 at present). Here we explore this structure type from the point of view of possible root-charge arrangements and endmember compositions. Enumeration shows that there are 34 distinct root-charge arrangements with Si = 12 apfu and 39 distinct root-charge arrangements with Si = 8–11 apfu. A priori bond-valence calculations for all root-charge arrangements allows evaluation of lattice-induced strain as a function of chemical composition for all arrangements for which the detailed atomic arrangement has been refined. Analysis of localized strain indicates that the B site has the highest amount of strain in the structure, and in accord with this finding, milarite-group minerals with vacancies at the B site are more common than milarite-group minerals with fully occupied B sites. The a priori bond-valence calculations suggest that many other compositions are possible for the milarite structure-type. Examination of synthesis results reveals 20 synthetic compounds with the milarite-type structure that have distinct (dominant) endmember compositions. Examination of ∼350 chemical analyses from the literature reveals 29 distinct endmember compositions, six of which deserve to be described as new mineral species. Two additional analyses could lead to new minerals, but require confirmation of site populations by structure refinement.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.003 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.007 | 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 source (direct Gemma or distilled Codex), 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".