Unique Barium Selenostannate−Selenide: Ba<sub>7</sub>Sn<sub>3</sub>Se<sub>13</sub> (and Its Variants Ba<sub>7</sub>Sn<sub>3</sub>Se<sub>13</sub><sub>-</sub><sub>δ</sub>Te<sub>δ</sub>) with SnSe<sub>4</sub> Tetrahedra and Isolated Se Anions
Bibliographic record
Abstract
The new selenostannate−selenide Ba 7 Sn 3 Se 13 and its quaternary substitution variants Ba 7 Sn 3 Se 13 - δ Te δ were prepared from the elements at 900 °C followed by slow cooling to 200 °C. Ba 7 Sn 3 Se 13 crystallizes in the orthorhombic space group Pnma, with lattice parameters of a = 12.748(1) Å, b = 24.891(3) Å, c = 9.212(1) Å, and V = 2923.0(5) Å 3 ( Z = 4). The structure motifs include Ba 2+ cations, isolated SnSe 4 tetrahedra, and isolated Se 2 - anions that are not bonded to any Sn atom. Partial Se/Te replacements are possible up to 2.24(2) of the 13 Se atoms, and the Te atoms prefer the naked site, surrounded by six Ba 2+ cations, as well as the site with the longest Se−Ba distances. The Se/Te substitution leads to a smaller band gap as computed with the LMTO approximation, which becomes visible by the gradual darkening of the red color with increasing Te content.
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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 | 0.000 | 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) | 0.002 | 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".