HYDROGEN BONDING IN THE CRYSTAL STRUCTURE OF SEAMANITE
Why this work is in the frame
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Bibliographic record
Abstract
Seamanite, Mn 2+ 3 (B(OH)4) (PO4) (OH)2 is orthorhombic, a 7.8231(9), b 15.1405(14), c 6.6999(7) A, V 793.50(14) A 3 , space group Pbnm, Z = 4. The structure was refined to an R index of 1.8% on the basis of 1160 observed (| Fo | > 5� F) reflections measured with MoKX-radiation using a single-crystal diffractometer, and all the H atoms were located in the refinement. The structure consists of face-sharing (Mn3 � 12) trimers (� : O, {OH}) of octahedra that link by sharing octahedron edges to form an (Mn3 � 10) chain that extends in the c direction. This chain is decorated by (B{OH}4) and (PO4) groups in a staggered configuration on either side of the chain. These chains condense in pairs by sharing octahedron-octahedron and octahedron-tetrahedron vertices to form columns that link together in the a and b directions by sharing vertices to form a heteropolyhedral framework. There are five crystallographically distinct H-atom sites in the structure. Two of the H atoms are displaced off their special positions on a mirror plane, presumably driven by local bond-valence requirements, but the displacement seems to be disordered, as refinement was completely satisfactory in the centrosymmetric space-group Pbnm. One of the anions of the phosphate group is not bonded to any other cations and is an acceptor anion for four hydrogen bonds.
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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) | 0.000 | 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 | 0.001 | 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 it