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Record W2140716591 · doi:10.1021/cm990490y

Crystal Chemical Aspects of Vanadium:  Polyhedral Geometries, Characteristic Bond Valences, and Polymerization of (VO<i><sub>n</sub></i>) Polyhedra

2000· article· en· W2140716591 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.

Bibliographic record

VenueChemistry of Materials · 2000
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysis and Oxidation Reactions
Canadian institutionsUniversity of Manitoba
Fundersnot available
KeywordsPolyhedronCrystallographyQuadruple bondBond lengthChemistryVanadiumCrystal structureBond orderInorganic chemistryCombinatoricsMathematics

Abstract

fetched live from OpenAlex

The distribution of bond lengths in (V 3+ O 6 ) polyhedra shows a maximum between 1.98 and 2.04 Å, and limits of 1.88 and 2.16 Å, respectively. The bond lengths in (V 4+ O n ) and (V 5+ O n ) ( n = 5, 6) polyhedra show distinct populations which allow us to define the following types of bonds: (1a) vanadyl bonds in (V 4+ O n ) polyhedra, shorter than 1.74 Å; (1b) vanadyl bonds in (V 5+ O 5 ) polyhedra, shorter than 1.76 Å; (1c) vanadyl bonds in (V 5+ O 6 ) polyhedra, shorter than 1.74 Å; (2a) equatorial bonds in (V 4+ O n ) polyhedra, in the range 1.90 to 2.12 Å; (2b) equatorial bonds in (V 5+ O 5 ) polyhedra, longer than 1.76 Å; (2c) equatorial bonds in (V 5+ O 6 ) polyhedra with one vanadyl bond, in the range 1.74 to 2.10 Å; (2d) equatorial bonds in (V 5+ O 6 ) polyhedra with two vanadyl bonds, in the range 1.80 to 2.00 Å; (3a) trans bonds in (V 4+ O 6 ) polyhedra, longer than 2.10 Å; (3b) trans bonds in (V 5+ O 6 ) polyhedra with one vanadyl bond, longer than 2.15 Å; (3c) trans bonds in (V 5+ O 6 ) polyhedra with two vanadyl bonds, longer than 2.025 Å. The average equatorial bond length in (V 4+ O n ) and (V 5+ O n ) polyhedra can be used to calculate the mean valence state of V in mixed-valent structures. We define characteristic bond valences for vanadyl, equatorial, and trans bonds in different coordinations and examine which binary linkages are possible and which linkages occur in minerals and synthetic compounds. Here, V 5+ −O−V 5+, V 5+ −O−V 4+, and V 4+ −O−V 4+ linkages between vanadyl− trans and equatorial−equatorial bonds occur often in synthetic compounds, whereas the corresponding V 4+ −O−V 4+ linkages are rare in minerals.

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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.005
GPT teacher head0.192
Teacher spread0.187 · 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