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Record W2950679534 · doi:10.1107/s2052520619006024

High-temperature Fe oxidation coupled with redistribution of framework cations in lobanovite, K<sub>2</sub>Na(Fe<sup>2+</sup><sub>4</sub>Mg<sub>2</sub>Na)Ti<sub>2</sub>(Si<sub>4</sub>O<sub>12</sub>)<sub>2</sub>O<sub>2</sub>(OH)<sub>4</sub>– the first titanosilicate case

2019· article· en· W2950679534 on OpenAlex
Elena S. Zhitova, Andrey A. Zolotarev, F. C. Hawthorne, Sergey V. Krivovichev, Viktor N. Yakovenchuk, Alexey Goncharov

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.

Bibliographic record

VenueActa Crystallographica Section B Structural Science Crystal Engineering and Materials · 2019
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersRussian Science FoundationSaint Petersburg State University
KeywordsRedistribution (election)OctahedronCrystallographyCrystal chemistryChemistryAtmospheric temperature rangeCrystal structureFerrousOxidation stateMetalInorganic chemistryThermodynamics

Abstract

fetched live from OpenAlex

The high-temperature (HT) behaviour of lobanovite, K 2 Na(Fe 2+ 4 Mg 2 Na)Ti 2 (Si 4 O 12 ) 2 O 2 (OH) 4 , was studied using in situ powder X-ray diffraction in the temperature range 25–1000°C and ex situ single-crystal X-ray diffraction of 17 crystals quenched from different temperatures. HT iron oxidation associated with dehydroxylation starts at 450°C, similar to other ferrous-hydroxy-rich heterophyllosilicates such as astrophyllite and bafertisite. A prominent feature of lobanovite HT crystal chemistry is the redistribution of Fe and Mg+Mn cations over the M (2), M (3), M (4) sites of the octahedral ( O ) layer that accompanies iron oxidation and dehydroxylation. This HT redistribution of cations has not been observed in titanosilicates until now, and seems to be triggered by the need to maintain bond strengths at the apical oxygen atom of the TiO 5 pyramid in the heteropolyhedral ( H ) layer during oxidation–dehydroxylation. Comparison of the HT behaviour of lobanovite with five-coordinated Ti and astrophyllite with six-coordinated Ti shows that the geometry of the Ti polyhedron plays a key role in the HT behaviour of heterophyllosilicates. The thermal expansion, geometrical changes and redistribution of site occupancies which occur in lobanovite under increasing temperature are reported. A brief discussion is given of minerals in which the cation ordering (usually for Fe and Mg) occurs together with iron oxidation–dehydroxylation at elevated temperatures: micas, amphiboles and tourmalines. Now this list is expanded by the inclusion of titanosilicate minerals.

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)0.005
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Research integrity
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity
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 score0.015
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0050.002
Meta-epidemiology (narrow)0.0050.004
Meta-epidemiology (broad)0.0040.001
Bibliometrics0.0030.009
Science and technology studies0.0050.004
Scholarly communication0.0050.006
Open science0.0030.002
Research integrity0.0030.004
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 head0.005
GPT teacher head0.191
Teacher spread0.186 · 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