The First Titanium Molybdenum Antimonide: Ti<sub>5.42</sub>Mo<sub>2.58</sub>Sb<sub>9</sub>, a Substitution Variant of Zr<sub>2</sub>V<sub>6</sub>Sb<sub>9</sub>
Bibliographic record
Abstract
Abstract The new ternary antimonide Ti5.42(2)Mo2.58Sb9 was uncovered by a reaction of the elements under exclusion of air at 1150 °C. It crystallizes in a ternary substitution variant of the V7.5Sb9 type, a structure not known to exist in either the Ti/Sb or the Mo/Sb system. The crystal structure of Ti5.42Mo2.58Sb9 was determined from single crystal X‐ray data: space group P4/nmm, with a = 9.8178(8) Å, c = 7.1857(8) Å, V = 692.6(1) Å3, Z = 2, R1 = 0.025, wR2 = 0.052 (all data). The structure contains four metal atom sites, two thereof occupied solely by Ti atoms, and two by different Ti/Mo mixtures. The former two correspond to the Zr sites, and the latter two to the V sites of the isostructural antimonide Zr2V6Sb9. The crystal structure is comprised of chains of face‐sharing TiSb8 square antiprisms, Ti/Mo tetrahedra and Sb atom pairs and squares. The electronic structure, computed with the LMTO approximation, is indicative of metallic properties. In addition to the dominating metal–Sb bonds, strong metal–metal and Sb–Sb bonds exist as well in Ti5.42Mo2.58Sb9. The Mo content per metal site increases with increasing metal–metal interactions.
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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) | 0.001 | 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 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".