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Record W2110207621 · doi:10.1017/s0885715614000414

Crystal structure of morimotoite from Ice River, Canada

2014· article· en· W2110207621 on OpenAlexafffundabout
Sytle M. Antao

Bibliographic record

VenuePowder Diffraction · 2014
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Calgary
FundersBasic Energy SciencesArgonne National LaboratoryNatural Sciences and Engineering Research Council of CanadaOffice of ScienceU.S. Department of Energy
KeywordsCrystallographyRietveld refinementCrystal structureElectron microprobeMaterials sciencePhase (matter)HomogeneousAnalytical Chemistry (journal)SynchrotronMineralogyChemistryPhysicsOpticsThermodynamics

Abstract

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The crystal structure of a morimotoite garnet, ideally Ca 3 (Ti 4+ Fe 2+ )Si 3 O 12 , from the Ice River alkaline complex, British Columbia, Canada was refined by the Rietveld method, space group $Ia\overline 3 d$ , and monochromatic synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. Electron-microprobe analysis indicates a homogeneous sample with a formula {Ca 2.91 Mg 0.05 Mn 2+ 0.03 } Σ3 [Ti 1.09 Fe 3+ 0.46 Fe 2+ 0.37 Mg 0.08 ] Σ2 (Si 2.36 Fe 3+ 0.51 Al 0.14 ) Σ3 O 12 . The HRPXRD data show a two-phase intergrowth. The reduced χ 2 and overall R ( F 2 ) Rietveld refinement values are 1.572 and 0.0544, respectively. The weight percentage, unit-cell parameter (Å), distances (Å), and site occupancy factors (sofs) for phase-1 are as follows: 76.5(1)%, a = 12.156 98(1) Å, average = 2.4383, Ti–O = 2.011(1), Si–O = 1.693(1) Å, Ca(sof) = 0.943(2), Ti(sof) = 0.966(2), and Si(sof) = 1.095(3). The corresponding values for phase-2 are 23.5(1)%, a = 12.160 67(2) Å, average = 2.452, Ti–O = 1.988(3), Si–O = 1.704(3) Å, Ca(sof) = 1.063(7), Ti(sof) = 1.187(7), and Si(sof) = 1.220(8). The two phases cause strain that arises from structural mismatch and gives rise to low optical anisotropy. Because the two phases are structurally quite similar, a refinement using a single-phase model with anisotropic displacement parameters shows no unusual displacement ellipsoid for the O atom that requires a “split O-atom position”, as was done in previous studies.

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: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.211
Threshold uncertainty score0.424

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0020.000
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0040.001

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 head0.198
Teacher spread0.191 · 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 designObservational
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".

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Citations15
Published2014
Admission routes3
Has abstractyes

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