Pr<sub>3</sub>S<sub>2</sub>Cl<sub>2</sub>[AsS<sub>3</sub>]: A Praseodymium(III) Sulfide Chloride Thioarsenate(III) with Double Chains of Condensed [SPr<sub>4</sub>]<sup>10+</sup> Tetrahedra
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Bibliographic record
Abstract
Abstract Single crystals of Pr 3 S 2 Cl 2 [AsS 3 ] were obtained by reacting praseodymium sesquisulfide and trichloride with arsenic and sulfur (molar ratio: 7:4:6:9) in torch‐sealed evacuated silica ampoules at 850 °C for a week and subsequent slow cooling to room temperature. The transparent, pale yellowish green platelets crystallize monoclinically (Pr 3 S 2 Cl 2 [AsS 3 ]: a = 2190.96(9) pm, b = 685.49(3) pm, c = 701.87(3) pm, β = 98.752(3)°) in the non ‐centrosymmetric space group Cc with Z = 4. The crystal structure of Pr 3 S 2 Cl 2 [AsS 3 ] comprises three crystallographically different Pr 3+ cations. (Pr1) 3+ and (Pr2) 3+ exhibit bicapped trigonal prismatic environments of five sulfur and three chlorine atoms (C.N. = 8) each, whereas only seven sulfur atoms arranged as capped trigonal prism (C.N. = 7) are present in the case of (Pr3) 3+ . Two of the five crystallographically different sulfur atoms (S1 and S2) are coordinated by four Pr 3+ cations, each in the shape of slightly distorted [SPr 4 ] 10+ tetrahedra ( d (S–Pr) = 278–294 pm). Hence, the crystal structure of Pr 3 S 2 Cl 2 [AsS 3 ] contains double chains with the composition 1 ∞ {[S 2 Pr 3 ] 5+ }, consisting of two parallel edge‐fused chains of anti ‐SiS 2 ‐analogous single strands 1 ∞ {[SPr 2 ] 4+ }, formed by trans ‐edge sharing [SPr 4 ] 10+ tetrahedra. The arrangement of the 1 ∞ {[S 2 Pr 3 ] 5+ } double chains running along [001] can be described as a hexagonal rod‐packing. Chloride anions (Cl1 and Cl2) as well as the isolated, ψ 1 ‐tetrahedral thioarsenate(III) groups [AsS 3 ] 3– ( d (As–S) = 228–229 pm) consisting of three sulfur atoms (S3, S4, and S5) and an As 3+ cation carrying a stereochemically active non ‐bonding electron pair take care of the three‐dimensional interconnection and the charge balance of the 1 ∞ {[S 2 Pr 3 ] 5+ } double chains. All lone pairs at the As 3+ cations of the [AsS 3 ] 3– pyramids point in the same direction parallel to the c axis of the acentric crystal structure of Pr 3 S 2 Cl 2 [AsS 3 ].
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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 | 0.003 | 0.001 |
| Meta-epidemiology (narrow) | 0.004 | 0.004 |
| Meta-epidemiology (broad) | 0.004 | 0.001 |
| Bibliometrics | 0.001 | 0.004 |
| Science and technology studies | 0.002 | 0.003 |
| Scholarly communication | 0.002 | 0.003 |
| Open science | 0.004 | 0.002 |
| Research integrity | 0.002 | 0.003 |
| Insufficient payload (model declined to judge) | 0.000 | 0.001 |
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