Zr<sub>1-</sub><i><sub>x</sub></i>Ti<i><sub>x</sub></i>Sb: A Novel Antimonide on the Quasibinary Section ZrSb−TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure
Bibliographic record
Abstract
Zr1-xTixSb can be obtained in quantitative yields by arc-melting suitable mixtures of Zr, Ti, ZrSb2, and TiSb2, or alternatively via a solid-state reaction at 1200 °C. This phase, although situated on the quasibinary section ZrSb−TiSb, crystallizes in an unprecedented structure type with 0.38(3) ≤ x ≤ 0.549(6), which was determined by three single-crystal analyses using an IPDS diffractometer: space group Cmcm, Z = 4, lattice dimensions ranging from a = 2455.8(2) pm, b = 852.06(9) pm, c = 566.69(5) pm (x = 0.55) to a = 2479.7(6) pm, b = 859.4(2) pm, c = 568.91(9) pm (x = 0.38). The crystal structure consists in part of channels formed by the metal atoms (M = Zr, Ti), which include a planar Sb ladder exhibiting short Sb−Sb distances (284 pm = c/2) parallel and longer ones (ca. 347 pm) perpendicular to the chain directions. The channels are further surrounded by Sb atoms, which belong in part to the embedding NiAs-type fragments. In contrast to TiSb (NiAs type) and ZrSb (ZrSb type), the new structure is stabilized by strong Sb−Sb bonding (in addition to M−Sb and M−M bonding). This is supported by the results of band structure calculations based on the ab initio LMTO method as well as on the semiempirical extended Hückel approach, which both also suggest three-dimensional metallic properties. The metallic character is confirmed by measurements of the thermopower and the electrical resistivity.
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How this classification was reachedexpand
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) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.002 |
| 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".