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Record W2767923028 · doi:10.1002/ejic.201701180

A Polyselenide with a Novel Se<sub>7</sub><sup>8–</sup> Unit: the Structure of Sr<sub>19–<i>x</i></sub>Pb<i><sub>x</sub></i>Ge<sub>11</sub>Se<sub>44</sub> with <i>x</i> = 5.0 and 6.4

2017· article· en· W2767923028 on OpenAlex
Abdeljalil Assoud, Holger Kleinke

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

VenueEuropean Journal of Inorganic Chemistry · 2017
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryCrystallographyBond lengthAtom (system on chip)Formula unitMolecular geometryUnit (ring theory)Band gapTetrahedronCrystal structureMoleculePhysicsCondensed matter physics

Abstract

fetched live from OpenAlex

An unprecedented, planar Se 7 8– unit with a threefold rotation axis was discovered in the new polyselenide Sr 19– x Pb x Ge 11 Se 44 . Sr 12.6 Pb 6.4 Ge 11 Se 44 crystallizes in the non‐centrosymmetric hexagonal space group P 6 3 with unit cell dimensions of a = b = 19.9867(2) Å, c = 12.0546(1) Å, V = 4170.28(7) Å 3 , with two formula units per cell. Its structure contains isolated [GeSe 4 ] tetrahedra, [Ge 2 Se 7 ] dimers, and a novel, planar propeller‐shaped Se 7 8– unit. The latter is unprecedented, but reminiscent of the isoelectronic pyramidal Se 7 8– and I 7 – units. It consists of a central Se atom, to which three Se 2 pairs with a short Se–Se bond are attached through a longer Se–Se distance, resulting in a central Se atom featuring 120° bond angles, and bridging Se atoms featuring an approximately linear coordination with a 179° bond angle. It can thus be written as [Se(Se 2 ) 3 ] 8– . We characterized this unit using Gaussian calculations in comparison to the pyramidal Se 7 8– unit, which may be described also as [Se(Se 2 ) 3 ] 8– . The solid‐state material is a black semiconductor with an optical band‐gap of 1.8 eV, which supports the assignment of this charge.

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)0.002
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Research integrity
Consensus categoriesMeta-epidemiology (narrow)
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 score0.011
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.001
Science and technology studies0.0020.002
Scholarly communication0.0010.001
Open science0.0040.001
Research integrity0.0000.003
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 head0.012
GPT teacher head0.203
Teacher spread0.191 · 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