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Record W2757514285 · doi:10.1107/s2052520617017437

Bond-length distributions for ions bonded to oxygen: metalloids and post-transition metals

2018· article· en· W2757514285 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.

Bibliographic record

VenueActa Crystallographica Section B Structural Science Crystal Engineering and Materials · 2018
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Manitoba
KeywordsLone pairBond lengthMetalloidChemistryIonCrystallographyCoordination numberOxidation stateChemical bondTransition metalValence electronBond energyBond strengthValence (chemistry)Bond orderMoleculeMetalElectronCrystal structurePhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

Bond-length distributions have been examined for 33 configurations of the metalloid ions and 56 configurations of the post-transition metal ions bonded to oxygen, for 5279 coordination polyhedra and 21 761 bond distances for the metalloid ions, and 1821 coordination polyhedra and 10 723 bond distances for the post-transition metal ions. For the metalloid and post-transition elements with lone-pair electrons, the more common oxidation state between n versus n +2 is n for Sn, Te, Tl, Pb and Bi and n +2 for As and Sb. There is no correlation between bond-valence sum and coordination number for cations with stereoactive lone-pair electrons when including secondary bonds, and both intermediate states of lone-pair stereoactivity and inert lone pairs may occur for any coordination number > [4]. Variations in mean bond length are ∼0.06–0.09 Å for strongly bonded oxyanions of metalloid and post-transition metal ions, and ∼0.1–0.3 Å for ions showing lone-pair stereoactivity. Bond-length distortion is confirmed to be a leading cause of variation in mean bond lengths for ions with stereoactive lone-pair electrons. For strongly bonded cations ( i.e. oxyanions), the causes of mean bond-length variation are unclear; the most plausible cause of mean bond-length variation for these ions is the effect of structure type, i.e. stress resulting from the inability of a structure to adopt its characteristic a priori bond lengths.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.074
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.008
GPT teacher head0.226
Teacher spread0.219 · 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