A New High-Pressure High-Temperature Phase of Silver Antimonate AgSbO<sub>3</sub> with Strong Ag–O Hybridization
Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide We report on a new polymorph of silver antimonate AgSbO 3 discovered with the use of high-pressure high-temperature synthesis at 16 GPa and 1380 °C. The crystal structure is determined from X-ray powder diffraction, and we find this new high-pressure phase crystallizes in monoclinic space group C 2/ c with the following values: a = 8.4570(3) Å, b = 9.8752(3) Å, c = 8.9291(3) Å, β = 91.1750(12)°, and V = 745.56(4) Å 3 . We synthesized the high-pressure (16 GPa) AgSbO 3 phase from the ilmenite phase as a precursor. This high-pressure monoclinic AgSbO 3 consists of a three-dimensional network of corner- and edge-sharing SbO 6 octahedra with channels along the c -direction containing Ag atoms. We also synthesize AgSbO 3 in the defect pyrochlore phase at 4 GPa from the same ilmenite precursor and compare the Raman spectra and the cation–anion bonding of all three AgSbO 3 phases. The absence of a cubic perovskite form of AgSbO 3 even at pressures of ≤16 GPa is likely due to the covalency of the Sb–O bonds and the moderate electronegativity of Ag + . Hybridization of Ag d and O p orbitals results in a variation of Ag–O distances that correlates with the band gap, which is in qualitative agreement with the density of states around the Fermi level from our density functional calculations. We compare AgSbO 3 with other ABX 3 compounds to elucidate the dependence of the structure on the constituent atoms.
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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) | 0.000 | 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 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".