Crystal Structure of Tengchongite with a Revised Chemical Formula Ca(UO2)6(MoO4OH)2O2(OH)4·9H2O
Bibliographic record
Abstract
ABSTRACT Tengchongite, a uranyl molybdate mineral from Tengchong County, Yunnan Province, China, was originally described as orthorhombic, with space group A2122, unit-cell parameters a = 15.616(4) Å, b = 13.043(6) Å, c = 17.716(14) Å, V = 3608 Å3, and an ideal chemistry CaO·6UO2·2MO3·12H2O. Its ideal chemical formula is given as Ca(UO2)6(MoO4)2O5·12H2O in the current IMA-CNMNC List of Mineral Names. Tengchongite is the only mineral with a U:Mo ratio of 3:1, the second-highest ratio of all natural and synthetic uranyl molybdate materials, but its crystal structure remained undetermined until now. This study reports the structure determination of tengchongite from the type sample and a revision of its chemical formula to Ca(UO2)6(MoO4OH)2O2(OH)4·9H2O. Tengchongite is orthorhombic, with space group C2221, Z = 4, a = 13.0866(8) Å, b = 17.6794(12) Å, c = 15.6800(9) Å, and V = 3627.8(4) Å3. Its crystal structure was refined from single-crystal X-ray diffraction data to R1 = 0.0323 for 6055 unique observed reflections. The fundamental building blocks of the tengchongite structure are sheets consisting of six-membered clusters of edge-sharing UO7 pentagonal bipyramids, which are connected by sharing vertices among them, as well as edges and vertices with MoO5 trigonal bipyramids. These sheets, parallel to [010], are linked together by Ca2+ and H2O groups. Tengchongite represents a new type of structural connectivity between U- and Mo-polyhedra for uranyl molybdate minerals.
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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 | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 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".