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Record W2051987614 · doi:10.2113/gscanmin.43.4.1379

THE C2/m DISORDERED STRUCTURE OF PASCOITE, Ca3[V10O28]{middle dot}17H2O: BONDING BETWEEN STRUCTURAL UNITS AND INTERSTITIAL COMPLEXES IN COMPOUNDS CONTAINING THE [V10O28]6 DECAVANADATE POLYANION

2005· article· en· W2051987614 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.
venuePublished in a venue whose home country is Canada.

Bibliographic record

VenueThe Canadian Mineralogist · 2005
Typearticle
Languageen
FieldMaterials Science
TopicPolyoxometalates: Synthesis and Applications
Canadian institutionsUniversity of Manitoba
FundersUniversity of MiamiNational Science Foundation
KeywordsCrystallographyChemistryOxygen atomPhysicsCrystal structureStereochemistryMolecule

Abstract

fetched live from OpenAlex

Nous avons determine l'agencement des atomes dans la pascoite, et nous l'avons affine jusqu'a un residu R egal a 0.0257 en utilisant des donnees tridimensionnelles obtenues avec rayonnement MoKα et un detecteur de type CCD. Ce mineral cristallise dans le groupe spatial C2/m, a 19.5859(6). b 10.1405(3), c 10.9110(3) A, β 120.815(1)°. L'agencement des atomes de la pascoite etait anterieurement presente en deux groupes d'espace possibles, un modele desordonne conforme au groupe C2/m et un modele ordonne C2. Les auteurs anterieurs ont prefere le modele ordonne, mais ont souligne l'ambiguite de la solution. Avec des donnees CCD et la possibilite de bien situer les atomes d'hydrogene, nous avons pu conclure que le modele desordonne C2/m est le bon. L'unite structurale, c'est-a-dire la portion anionique de la structure, est le polyanion decavanadate (V 1 0 O 2 8 ) 6 - , que l'on retrouve dans la hummerite et de nombreux vanadates synthetiques. Ce sont les groupes interstitiels qui joignent les groupes decavanadate: ils contiennent le groupe cationique {Ca 3 (H 2 O) 1 7 } 6 + . Tous les atomes d'oxygene du complexe interstitiel font partie de groupes (H 2 O), contrairement a l'unite structurale, qui est depourvue d'atomes d'hydrogene. Il y a deux atomes de Ca dans le complexe interstitiel. Le desordre qui affecte les atomes d'oxygene mene a une coordinence moyenne de CalO 7 pour l'atome Cal, quoique les atomes d'oxygene desordonnes peuvent faire partie de coordinences CalO 6 , CalO 7 , et CalOg. L'atome Ca2, en coordinence Ca2O 7 , est aussi lie a des atomes d'oxygene desordonnes. Un examen des structures de composes possedant comme unite strucurale le polyanion decavanadate et des cations mono-, bi-, et trivalents simples dans le complexe interstitiel demontre que la somme des liaisons emanant du complexe interstitiel montre une correlation avec le nombre de groupes (H 2 O) par cation.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.689
Threshold uncertainty score0.987

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 studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.032
GPT teacher head0.251
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