CRYSTAL CHEMISTRY OF URANYL MOLYBDATES. III. NEW STRUCTURAL THEMES IN Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] AND K6[(UO2)2O(MoO4)4]
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Bibliographic record
Abstract
Two Na uranyl molybdates, Na 6 [(UO 2 ) 2 O(MoO 4 ) 4 ] and Na 6 [(UO 2 )(MoO 4 ) 4 ], and one K uranyl molybdate, K 6 [(UO 2 ) 2 O(MoO 4 ) 4 ], have been synthesized by high-temperature solid-state reactions of mixtures of Na 2 CO 3 , K 2 CO 3 , UO 3 and MoO 3 . All three structures were solved by direct methods and refined on the basis of F 2 for all unique data collected with monochromatic Mo K α X-radiation and a CCD (charge-coupled device) detector. The structure of Na 6 [(UO 2 ) 2 O(MoO 4 ) 4 ] was efined to an agreement factor ( R 1) of 4.1%, calculated using the 1969 unique observed reflections ( F o ≥ 4σ F ), and a goodness-of-fit ( S ) of 1.06. It is triclinic, space group P 1, a 7.637(2), b 8.164(2), c 8.746(2) A, α 72.329(5), β 79.364(5), γ 65.795(4)°, V 472.7(2) A 3 , Z = 1. The structure of Na 6 [(UO 2 )(MoO 4 ) 4 ] was refined to an R 1 of 3.3%, calculated using the 3268 unique observed reflections ( F o ≥ 4σ F ), and a S of 0.97. It is triclinic, space group P 1, a 7.0958(8), b 9.566(1), c 13.415(2) A, α 73.692(2), β 86.621(2), γ 82.940(2)°, V 867.0(2) A 3 , Z = 2. The structure of K 6 [(UO 2 ) 2 O(MoO 4 ) 4 ] was refined to an R 1 index of 4.9%, calculated using the 1833 unique observed reflections ( F o ≥ 4σ F ), and a S of 0.90. It is triclinic, space group P 1, a 7.8282(8), b 7.8298(8), c 10.302(1) A, α 83.893(2), β 73.131(2), γ 80.338(2)°, V 594.6(1) A 3 , Z = 1. The structural connectivity of these three compounds is notable in that each exhibits themes not previously observed in uranyl compounds. The structures of both Na 6 [(UO 2 ) 2 O(MoO 4 ) 4 ] and K 6 [(UO 2 ) 2 O(MoO 4 ) 4 ] contain chains of polyhedra of composition [(UO 2 ) 2 O(MoO 4 ) 4 ] 6− . These chains have not been previously observed and are composed of [ Ur O 4 O Ur O 4 ] dimers consisting of two Ur O 5 ( Ur : uranyl ion) pentagonal bipyramids sharing a common O atom. The dimers are connected into a chain by sharing vertices with MoO 4 tetrahedra, with the chains linked by Na + or K + cations. The structure of Na 6 [(UO 2 )(MoO 4 ) 4 ] consists of finite clusters of composition [(UO 2 ) 2 (MoO 4 ) 8 ] 12− composed of two Ur O 5 pentagonal bipyramids connected by sharing vertices with MoO 4 tetrahedra. The clusters in Na 6 [(UO 2 )(MoO 4 ) 4 ] are oriented parallel to the (001) plane and are linked through Na + cations.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| 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 | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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 it