THE CRYSTAL STRUCTURE OF A POLYMORPH OF Hg2+ 3S2Br1.0Cl0.5I0.5
Bibliographic record
Abstract
La structure de grechishchevite, Hg 3 S 2 (Br,Cl,I) 2 le seul sulfohalogenure de mercure connu dont la partie anionique implique les trois halogenes Cl, Br, et I en plus du soufre, demeure meconnue. Ici, nous decrivons la structure d'un polymorphe synthetique de Hg 2 + 3S 2 Br 1 . 0 Cl 0 . 5 I 0 . 5 , Z = 8, de symetrie orthorhombique, a 13.249(3), b 13.259(3), c 8.710(2) A, V 1530.1(5) A 3 , groupe spatial Pbnm, resolue par methodes directes et affinee jusqu'a un residu R de 0.0363 en utilisant 1438 reflexions uniques (R i n t = 0.049) mesurees avec rayonnement MoKα et un diffractometre automatise CAD-4. La structure contient quatre atomes independants de mercure; chaque ion Hg 2 + forme des liaisons covalentes avec deux atomes de soufre a une distance variant de 2.358(4) a 2.459(4) A; les angles S(2)-Hg(2)-S(1) et S(1)'-Hg(4)-S(2) sont 172.81(15)° et 172.90(15)°, respectivement. Il est a noter que les angles S(2)'-Hg(1)-S(2) [141.8(2)°] et S(1)'-Hg(3)-S(1) [140.9(2)°] devient largement de la linearite. Chaque ion S 2 - est en liaison covalente avec trois atomes de mercure a une distance variant de 2.358(4) a 2.459(4) A; l'angle Hg-S-Hg varie de 95.95(14) a 104.9(17)°. Ces unites forment le motif structural des anneaux [Hg 4 S 4 ] a huit membres, qui sont agences en rubans infinies en vilebroquin le long de [001]. Les atomes de halogenes sont situes soit a l'interieur, soit a l'exterieur, de ces rubans, les distances Hg-Cl, Hg-Br et Hg-I etant egales a 2.768(6)-2.804(6), 3.040(2)-3.078(2) et 3.259(1)-3.304(1) A, respectivement. Compte tenu des atomes de halogenes, les atomes Hg(1)-Hg(4) font preuve d'une coordinence octaedrique difforme. Nous decrivons les particularites cristallochimiques des chalcogenures a halogenes de mercure, Hg 3 X 2 Hal 2 (X = S, Se, Te; Hal = F, Cl, Br, I).
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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 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.006 | 0.001 |
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".