STRUCTURE DETERMINATION FROM POWDER DIFFRACTION DATA OF SOME MOISTURE-SENSITIVE NETWORK COORDINATION COMPOUNDS
Why this work is in the frame
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Bibliographic record
Abstract
A series of new compounds was discovered during the study of a novel solid lithium-ion battery electrolyte system based on succinonitrile. The phases LiX(succinonitrile)2 (X = PF6-, AsF6-, ClO4-) were identified as undesirable phases that formed at low salt concentrations in succinonitrile. The silver analogues of these systems also exist as crystalline phases, but the lithium salts do not share the same structure. The crystal structures of the Li salts were solved from laboratory X-ray diffraction data. The AsF6- and PF6- adducts are isostructural, with the monoclinic space group, P2. The ClO4- adduct has a doubled unit cell volume compared to the AsF6- and PF6- materials and has the orthorhombic space group Pba2. The lithium coordination in these adducts helps explain why plastic crystal electrolytes using LiPF6 and LiClO4 salts have poor ionic conductivity at room temperature.
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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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it