From structure topology to chemical composition. X. Titanium silicates: the crystal structure and crystal chemistry of nechelyustovite, a group III Ti-disilicate mineral
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Bibliographic record
Abstract
Abstract The crystal structure of nechelyustovite, ideally Na 4 Ba 2 Mn 1.5 ☐ 2.5 Ti 5 Nb(Si 2 O 7 ) 4 O 4 (OH) 3 F(H 2 O) 6 , a 5.447(1) Å, b 7.157(1) Å, c 47.259(9) Å, α 95.759(4)°, β 92.136(4)°, γ 89.978(4)°, V 1831.7(4) Å 3 , space group P , Z = 2, D calc. 3.041 g cm –3 , from Lovozero alkaline massif, Kola Peninsula, Russia, has been solved and refined to R 1 = 13.9% on the basis of 1745 unique reflections ( F o > 15σ F ). Electron microprobe analysis yielded the empirical formula (H 2 0) 6.01 , Z = 2, calculated on the basis of 42 (O + F) a.p.f.u., H 2 O and OH are calculated from structure refinement (H 2 O = 6 p.f.u.; F + OH = 4 p.f.u.). The crystal structure of nechelyustovite is a combination of a TS (titanium silicate) block and an I (intermediate) block. The TS block consists of HOH sheets (H-heteropolyhedral, O-octahedral). The TS block exhibits linkage and stereochemistry typical for Group III (Ti = 3 a.p.f.u.) of Ti-disilicate minerals: two H sheets connect to the O sheet such that two (Si 2 O 7 ) groups link to the trans edges of a Ti octahedron of the O sheet. There are two distinct TS blocks of the same topology, TS 1 and TS 2 , that differ in the cations of the O sheet, [(Na 1.5 Mn 1 ☐ 0.5 )Ti] and [(Na 2 Mn 0.5 ☐ 0.5 )Ti] (4 a.p.f.u.) respectively. The TS 1 and TS 2 blocks have two different H sheets, H 1,2 and H 3,4, where (Si 2 O 7 ) groups link to [5]- and [6]-coordinated (Ti,Nb) polyhedra respectively. There are three peripheral sites, A P (1—3), occupied mainly by Ba (less Sr and K) at 96, 86 and 26% and one peripheral site A P (4) occupied by Na at 50%. There are two I blocks: the I 1 block is a layer of Ba atoms; the I 2 block consists of H 2 O groups and A P (3) atoms. TS blocks alternate with I blocks or link through hydrogen bonds (as in epistolite). There is a sequence of four TS blocks and three I blocks per the c cell parameter: TS 2 — I 1 — TS 1 — I 2 — TS 1 — I 1 — TS 2 .
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Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it