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Record W2295538973 · doi:10.2138/am-2015-5150

Transition metal cation site preferences in forsterite (Mg <sub>2</sub> SiO <sub>4</sub> ) determined from paramagnetically shifted NMR resonances

2015· article· en· W2295538973 on OpenAlexfundno aff
Ryan J. McCarty, Aaron C. Palke, Jonathan F. Stebbins, J. Stephen Hartman

Bibliographic record

VenueAmerican Mineralogist · 2015
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of CanadaNational Science Foundation
KeywordsForsteriteChemistrySpinsOctahedronTransition metalNMR spectra databaseSpectral lineCrystallographyMetalNuclear magnetic resonanceInorganic chemistryMineralogyCrystal structurePhysicsCondensed matter physicsOrganic chemistry

Abstract

fetched live from OpenAlex

In marked contrast to the single, narrow 29 Si MAS NMR resonance for pure forsterite (Mg 2 SiO 4 ), the spectra for synthetic forsterite containing 0.05 to 5% of the Mg 2+ replaced with Ni 2+ , Co 2+ , or Fe 2+ display between 4 and 26 additional, small, paramagnetically shifted peaks that are caused by interactions of the unpaired electron spins on the transition metal cations and the nuclear spins. Analyses of these relative peak areas, their numbers, and comparison of their positions to those in spectra of synthetic monticellites (CaMgSiO 4 ) containing similar levels of transition metals, allows at least partial assignment to the effects of cations in either the M1 octahedral site only or to both M1 and M2 sites. More detailed analyses indicate that in forsterite, Ni 2+ occupies only M1, Fe 2+ occupies M1 and M2 roughly equally, and Co 2+ occupies both M1 and M2 in an approximately 3:1 ratio. These findings for low concentrations agree with expectations from previous studies by other methods (e.g., XRD) of olivines with much higher transition metal cation contents. However, even low concentrations of Mn 2+ (e.g., 0.1%), as well as higher Fe 2+ contents (e.g., in natural San Carlos olivine) can broaden NMR peaks sufficiently to greatly reduce this kind of information content in spectra.

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 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 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 score0.098
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
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 head0.022
GPT teacher head0.266
Teacher spread0.244 · 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 teacher head, not a consensus.

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

Citations25
Published2015
Admission routes1
Has abstractyes

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