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Record W2320368150 · doi:10.3749/canmin.51.2.233

HYDROGEN BONDING IN THE CRYSTAL STRUCTURE OF LEGRANDITE: Zn2(AsO4)(OH)(H2O)

2013· article· en· W2320368150 on OpenAlex

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.

venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueThe Canadian Mineralogist · 2013
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsnot available
Fundersnot available
KeywordsHydrogen bondCrystallographyCrystal structureMaterials scienceChemistryMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

The crystal structure of legrandite -- Zn 2 (AsO 4 )(OH)(H 2 O), monoclinic, a 12.8052(3), b 7.9249(2), c 10.2173(2) A, β 104.4329(3)°, V 1004.13(6) A 3 , space group P 2 1 / c , Z = 2 -- has been refined to an R 1 value of 1.2% based on 2844 unique [| F o | > 4σ F ] reflections measured with a Bruker D8 three-circle diffractometer equipped with a rotating-anode generator (Mo K α X-radiation), multilayer optics, and an APEX-II detector. The legrandite structure is a heteropolyhedral framework of (AsO 4 ) tetrahedra, (Znφ 5 ) square pyramids, and (Znφ 6 ) octahedra [φ = O, (OH), (H 2 O)] with extensive hydrogen bonding across its interstices. All hydrogen positions were located, all hydrogen bonds were assigned, and the H...O distances are in reasonable accord with the published relation between O–H stretching frequency and H...O bond-length.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.753
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.014
GPT teacher head0.211
Teacher spread0.197 · 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