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Record W4408607576 · doi:10.1021/acs.inorgchem.4c04795

Examining Order–Disorder Structural Transition of Gd<sub>2</sub>Zr<sub>2–<i>x</i></sub>Ce<sub><i>x</i></sub>O<sub>7</sub> Using Synchrotron Techniques

2025· article· en· W4408607576 on OpenAlexafffund
Graham King, Andrew P. Grosvenor

Bibliographic record

VenueInorganic Chemistry · 2025
Typearticle
Languageen
FieldMaterials Science
TopicNuclear materials and radiation effects
Canadian institutionsCanadian Light Source (Canada)University of Saskatchewan
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistrySynchrotronCrystallographyX-ray crystallographyOrder (exchange)DiffractionNuclear physicsPhysics

Abstract

fetched live from OpenAlex

Depending on the radius ratio of A and B site cations, A 2 B 2 O 7 -type oxides can adopt different crystal structures, including the pyrochlore-, defect fluorite-, or bixbyite-type structures. Gd 2 Zr 2 O 7 with a r Gd 3+ / r Zr 4+ ratio of 1.46 is an example that exhibits a polymorphic transition between the pyrochlore- and defect fluorite-type structures. To delve deeper into these polymorphic transitions, Ce was introduced as a substitute in the B-site of Gd 2 Zr 2 O 7 . Gd 2 Zr 2– x Ce x O 7 (0 ≤ x ≤ 2) was synthesized using a coprecipitation method and annealed at 1400 °C. Previous investigations yielded disparate results regarding the structures adopted due to the challenge of detecting the low-intensity superstructural peaks associated with the pyrochlore and bixbyite structures using conventional lab-based X-ray diffraction (XRD) instruments. Utilizing synchrotron XRD with a high signal/noise ratio resolves these contradictions and aids in the structure analysis for Gd 2 Zr 2– x Ce x O 7 . Based on synchrotron XRD data, a combination of defect fluorite and pyrochlore phases was observed for x = 0–0.25, the defect fluorite structure was adopted when x = 0.5–1.75, and the bixbyite structure was observed when x = 2. Ce L 3 and Zr K-edge X-ray absorption near edge spectroscopy (XANES) spectra revealed that both cations were present in 4+ oxidation states.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.003
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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 science0.0000.000
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 head0.007
GPT teacher head0.220
Teacher spread0.213 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations2
Published2025
Admission routes2
Has abstractyes

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