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Record W2019536353 · doi:10.3749/canmin.47.1.165

THE CRYSTAL STRUCTURE OF BURGESSITE, Co2 (H2O)4 [AsO3(OH)]2 (H2O), AND ITS RELATION TO ERYTHRITE

2009· article· en· W2019536353 on OpenAlexafffundvenueabout
Matthew A. Cooper, F. C. Hawthorne

Bibliographic record

VenueThe Canadian Mineralogist · 2009
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsRelation (database)Crystal structureCrystallographyMaterials scienceChemistryComputer scienceData mining

Abstract

fetched live from OpenAlex

The crystal structure of burgessite, ideally Co 2 (H 2 O) 4 [AsO 3 (OH)] 2 (H 2 O), a newly recognized supergene mineral from the Keeley mine, South Lorrain Township, Timiskaming District, Ontario, Canada, has been solved by direct methods and refined to an R index of 4.3% based on 494 observed reflections collected on a four-circle diffractometer with Mo K α X-radiation. Burgessite is monoclinic, space group P 2 1 / n , a 4.7058(12), b 9.299(3), c 12.738(4) A, β 98.933(8)°, V 550.6(5) A 3 , Z = 2, D meas = 2.93 g/cm 3 . The structure consists of one unique As site that is [4]-coordinated by O atoms and occupied by As 5+ with a As –O> distance of 1.694 A. There is one Co site occupied by Co and [6]-coordinated, with a Co –O> distance of 2.096 A. Bond-valence analysis of the final structure indicates three O atoms (O 2− ), one (OH) group and three (H 2 O) groups in the asymmetric unit; note that the (OH) group is bonded to the As 5+ cation, forming an acid arsenate group: AsO 3 (OH). The resulting ideal formula is Co 2 (H 2 O) 4 [As 5+ O 3 (OH)] 2 (H 2 O), where the (H 2 O) groups before the arsenate group are bonded to Co, and the (H 2 O) group following the arsenate group is held in the structure solely by hydrogen bonds. A prominent motif in the burgessite structure is the [Co 2 (H 2 O) 4 [As 5+ O 3 (OH)] 2 ] chain, which extends in the [100] direction and occurs at the vertices of an orthorhombic net. These chains are linked into a three-dimensional structure by hydrogen bonds that involve (OH) bonded to As 5+ , (H 2 O) bonded to Co, and (H 2 O) held in the structure solely by hydrogen bonds. The crystal structure of erythrite is based on [Co 2 (H 2 O) 4 (As 5+ O 4 ) 2 ] chains of the same bond-topology as that found in burgessite.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
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 score0.017
Threshold uncertainty score0.034

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.220
Teacher spread0.208 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations6
Published2009
Admission routes4
Has abstractyes

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