THE CRYSTAL STRUCTURE OF A POLYMORPH OF Hg2+ 3S2Br1.0Cl0.5I0.5
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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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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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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