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Record W2057486956 · doi:10.2113/gscanmin.40.3.923

HYDROGEN BONDING IN THE CRYSTAL STRUCTURE OF SEAMANITE

2002· article· en· W2057486956 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.
venuePublished in a venue whose home country is Canada.

Bibliographic record

VenueThe Canadian Mineralogist · 2002
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersNational Research Council CanadaNatural Sciences and Engineering Research Council of Canada
KeywordsHydrogen bondCrystallographyCrystal structureCrystal (programming language)Materials scienceHydrogenChemistryComputer scienceMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

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.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.851
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.025
GPT teacher head0.211
Teacher spread0.185 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it