THE TOPOLOGY OF HYDROGEN BONDING IN BRANDTITE, COLLINSITE AND FAIRFIELDITE
Bibliographic record
Abstract
Nous avons affine la structure cristalline de la brandtite [Ca2(Mn,Mg)(As04)2(H 2 O)2, monoclinique, a 5.877(1), b 12.957(2), c 5.675(1) A, β 108.00(3)°, V 411.0 A 3 , groupe d'espace P2 1 /c, Z = 2], la collinsite [Ca2(Mg,Fe)(PO 4 ) 2 (H20)2, triclinique, a 5.729(1), b 6.778(1), c 5.444(1) A, a 97.31(3), β 108.63(3), γ 107.25(3)°, V 189.8 A 3 , groupe d'espace PI, Z= 1] et la fairfieldite [Ca 2 (Mn,Mg)(PO 4 ) 2 (H 2 O) 2 , triclinique, a 5.795(1), b 6.576(1), c 5.495(1) A, a 102.39(3), β 108.63(3), γ 90.29(3)°, V 194.0 A 3 , groupe spatial P1, Z = 1] jusqu'a un residu R de 2.6, 1.5 et 1.7%, respectivement, en utilisant 1200, 1089 et 1137 reflexions uniques [|F o | > 5σF] mesurees avec un diffractometre a quatre cercles automatise muni d'un detecteur en serie et avec un rayonnement MoKα. Ces structures sont fondees sur des chaines infinies [M(TO 4 ) 2 (H 2 O) 2 ] paralleles a l'axe c, avec une periode d'environ 5.55 A. Les atomes interstitiels de Ca se situent entre les chaines. Quoique la brandtite, la collinsite et la fairfieldite se ressemblent du point de vue chimique, les differences dans les agencements de leurs liaisons hydrogene sont la cause de differences structurales importantes. Les trois variantes distinctes du point de vue structural sont comparees, avec une attention particuliere a l'agencement des liaisons hydrogene dans chaque structure. Plusieurs autres variantes structurales dependent de differents agencements des liaisons hydrogene impliquant le module structural [M 2+ (T 5+ O 4 ) 2 (H 2 O) 2 ].
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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 | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.005 | 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".