HYDROGEN BONDING IN THE CRYSTAL STRUCTURE OF SEAMANITE
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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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 | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".