The crystal structure and crystal chemistry of mendeleevite-(Ce), (Cs,☐)<sub>6</sub>(☐,Cs)<sub>6</sub>(☐,K)<sub>6</sub>(REE,Ca,☐)<sub>30</sub>(Si<sub>70</sub>O<sub>175</sub>)(H<sub>2</sub>O,OH,F,☐)<sub>35</sub>, a potential microporous material
Bibliographic record
Abstract
Abstract The crystal structure of mendeleevite-(Ce), (Cs,☐)6(☐,Cs)6(☐,K)6(REE,Ca,☐)6(Si70O175) (H2O,OH,F,D)35, a new mineral from the moraine of the Darai-Pioz glacier, the Alai mountain ridge. Tien-Shan mountains, northern Tajikistan, was solved by direct methods and refined to Ri = 4.15% based on 2274 observed [Fo > 4σ|F|] unique reflections measured with Mo-Kα. radiation on a Bruker PA diffractorneter equipped with a CCD detector. Mendeleevite-(Ce) is cubic, space group Pm3̄, a 21.9148(4) Å, V 10525(1) Å3, Z = 2, Dcalc = 3.066 g/cm3. The empirical formula (electron microprobe) is CS5.94K2.22[(Ce11.35La5.86Nd3.23Pr1.54Sm0.32Gd0.20)Σ22.50(Ca4.68Sr1.00)Σ5.68]Σ28.18 Si70.12O203.17H45.67F6.83, Z = 2, calculated on the basis of 210 (O + F) a.p.f.u., with H2O and OH calculated from structure refinement (OH + F = 17 p.f.u.; H2O = 17.75 p.f.u.). The structural formula is (Cs4.65☐1.35)Σ6(☐4.71Cs1.29)Σ6(☐3.78K2.22)Σ6﹛[(Ce11.35La5.86Nd3.23 Pr1.54Sm0.32Gd0.20)Σ22.50(Ca4.68Sr1.00)Σ5.68]Σ28.18☐1.82﹜Σ30(Si70O175)[(OH)10.17F6.83]Σ17(H2O)17.75. Simplified and endmember formulae are as follows: (Cs,☐)6(☐,Cs)6(☐,K)6(REE,Ca,☐)30(Si70O175) (H2O,OH,F,☐)35 and Cs6(REE22Ca6)(Si70O175)(OH,F)14(H20)21. The crystal structure of mendeleevite-(Ce) is an intercalation of two independent Si—O radicals and an M framework of (REE,Ca) polyhedra. The Si—O radicals are an (Si140O260)104– framework and an (Si36O90)36– cluster which do not link directly. The M framework is located between the Si—O framework and the Si—O clusters. Interstitial cations occupy two types of cages and channels. Cages I and II are 78 and 22% occupied by Cs. Channels along [100↻] contain K atoms and H2O groups. Mendeleevite-(Ce) has no natural or synthetic structural analogues. Mendeleevite-(Ce) is a framework mineral with large cavities and it has the potential to be used as a model for the synthesis of microporous materials of industrial interest.
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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".