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Record W2267254741 · doi:10.1103/physrevb.93.054101

High-pressure structural study of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MnF</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>

2016· article· lv· W2267254741 on OpenAlex
Elissaios Stavrou, Yansun Yao, Alexander F. Goncharov, Zuzana Konôpková, Constantine A. Raptis

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenuePhysical review. B./Physical review. B · 2016
Typearticle
Languagelv
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsCanadian Light Source (Canada)University of Saskatchewan
FundersDeutsches Elektronen-SynchrotronNatural Sciences and Engineering Research Council of CanadaDefense Advanced Research Projects AgencySeventh Framework ProgrammeU.S. Department of EnergyHelmholtz-GemeinschaftUniversity of Saskatchewan
KeywordsRutileStishoviteTetragonal crystal systemRaman spectroscopyMaterials scienceDiamond anvil cellPhase transitionCrystallographyType (biology)Lattice (music)PhysicsCrystal structureHigh pressureCondensed matter physicsThermodynamicsChemistryGeology

Abstract

fetched live from OpenAlex

Manganese fluoride $({\mathrm{MnF}}_{2})$ with the tetragonal rutile-type structure has been studied using a synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 60 GPa at room temperature combined with first-principles density functional calculations. The experimental data reveal two pressure-induced structural phase transitions with the following sequence: rutile $\ensuremath{\rightarrow} {\mathrm{SrI}}_{2}$ type (3 GPa)$\ensuremath{\rightarrow} \ensuremath{\alpha}\ensuremath{-}{\mathrm{PbCl}}_{2}$ type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of ${\mathrm{MnF}}_{2}$ including the exact structure of the debated first high-pressure phase. First-principles density functional calculations confirm this phase transition sequence, and the two calculated transition pressures are in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phases. The results are discussed in line with the possible practical use of rutile-type fluorides in general and specifically ${\mathrm{MnF}}_{2}$ as a model compound to reveal the HP structural behavior of rutile-type ${\mathrm{SiO}}_{2}$ (Stishovite).

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)0.001
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.888
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.003
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0030.002
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0090.004

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 head0.014
GPT teacher head0.275
Teacher spread0.261 · 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