Reversible Reconstructive Phase Transition of Ba<sub>2</sub>SnSe<sub>5</sub>: A New High Temperature Modification with Completely Different Structural Motifs
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Bibliographic record
Abstract
A new modification of Ba(2)SnSe(5) was prepared by high temperature synthesis. In contrast to its low temperature modification that adopts the orthorhombic space group P2(1)2(1)2(1), the new beta-Ba(2)SnSe(5) crystallizes in the monoclinic system, space group P2(1)/c, with the lattice parameters a = 9.3949(6) A, b = 8.8656(6) A, c = 12.5745(7) A, beta = 113.299(4) degrees, V = 961.9(1) A(3), Z = 4. alpha-Ba(2)SnSe(5) is comprised of Sn(3)Se(10)(8-) units, SnSe(4)(4-) tetrahedra, and isolated Se(3)(2-) units, while beta-Ba(2)SnSe(5) contains only SnSe(5)(4-) units, wherein Sn is tetrahedrally coordinated by four Se atoms. The fifth Se atom is connected to one Se atom of the SnSe(4)(4-) tetrahedron, thereby forming a Se(2)(2-) dumbbell. Different band gaps are a result of the different structure motifs, which are reflected in different colors of the two Ba(2)SnSe(5) modifications, the alpha-form being dark brown and the beta-form being red.
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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) | 0.001 | 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 | 0.001 |
| 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