From Structure Topology to Chemical Composition. XXXI. Refinement of the Crystal Structure and Chemical Formula of Selivanovaite, NaFe3+Ti4(Si2O7)2O4(H2O)4, a Murmanite-Group (Seidozerite Supergroup) TS-Block Mineral from the Lovozero Massif, Kola Peninsula, Russia
Bibliographic record
Abstract
ABSTRACT Selivanovaite, ideally NaFe3+Ti4(Si2O7)2O4(H2O)4, is a murmanite-group (seidozerite supergroup) TS-block mineral from the Lovozero massif, Kola Peninsula, Russia. The crystal structure of selivanovaite was refined in space group C, a 10.524(6), b 13.815(6), c 12.213(14) Å, α 99.74(6), β 107.45(8), γ 90.15(10)°, V 1666.8(26) Å3, R1 = 21.40%. The previously given chemical analysis has been modified to better fit the crystal structure: Nb2O5 8.51, ZrO2 2.94, TiO2 31.96, SiO2 30.62, Al2O3 0.05, Fe2O3 5.08, FeO 3.23, MnO 3.36, CaO 2.14, MgO 0.75, Na2O 2.47, H2O 8.88, sum 99.99 wt.%; H2O was determined from structure-refinement results: H2O = 3.34 pfu, OH = 1.05 pfu. The empirical formula calculated on 22 O apfu is: (Na0.63Ca0.30Mn0.36)Σ1.29(Fe3+0.50Fe2+0.35)Σ0.85(Ti3.14Nb0.50Zr0.19Mg0.15Mn0.01Al0.01)Σ4.00Si3.99O22.00H7.73, Z = 4. The crystal structure of selivanovaite [basic structure type B1(MG)] is an array of TS blocks (Titanium Silicate) connected via hydrogen bonds. The TS block consists of HOH sheets (H = heteropolyhedral, O = octahedral) parallel to (001). In the O sheet, the Ti-dominant MO(1,2) sites, Na-dominant MO(3) site, and □-dominant MO(4) sites give ideally Na□Ti2pfu. In the H sheet, the Ti-dominant MH(1,2) sites, Fe3+-dominant AP(1) site, and vacant AP(2) sites give ideally Fe3+□Ti2pfu. The MH and AP(1) polyhedra and Si2O7 groups constitute the H sheet. The ideal structural formula of selivanovaite of the form AP2MH2MO4(Si2O7)2(XOM,A)4(XPM,A)4 is Fe3+□Ti2Na□Ti2(Si2O7)2O4(H2O)4. Selivanovaite is a Fe3+-bearing and OH-poor analogue of vigrishinite, ideally Zn□Ti2Na□Ti2(Si2O7)2O2O(OH)(H2O)4. Vigrishinite and selivanovaite are related by the following substitution: O(OH)–vig + H(Zn2+)vig ↔ O(O2–)sel + H(Fe3+)sel. Selivanovaite is a Fe3+-bearing and Na-poor analogue of murmanite, ideally Na2Ti2Na2Ti2(Si2O7)2O4(H2O)4. Murmanite and selivanovaite are related by the following substitution: O(Na+)mur + H(Na+2)mur ↔ O(□)sel + H(Fe3+)sel + H(□)sel. The doubling of the t1 and t2 translations of selivanovaite compared to those of murmanite is due to the ordering of Fe3+ and □ in the H sheet and Na and □ in the O sheet of selivanovaite.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.019 | 0.004 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".