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Record W2124302248 · doi:10.1017/s0885715614000062

Crystal chemistry of birefringent spessartine

2014· article· en· W2124302248 on OpenAlexafffund
Sytle M. Antao, Stephanie A. Round

Bibliographic record

VenuePowder Diffraction · 2014
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Calgary
FundersBasic Energy SciencesArgonne National LaboratoryNatural Sciences and Engineering Research Council of CanadaOffice of ScienceU.S. Department of Energy
KeywordsCrystallographyRietveld refinementElectron microprobeMaterials scienceCrystal structureAnalytical Chemistry (journal)ChemistryMetallurgy

Abstract

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The crystal structure of one isotropic [(1) Brazil] and three birefringent spessartine samples [(2) California, (3) Tanzania, and (4) Colorado] were refined using the Rietveld method, cubic space group $Ia\overline 3 d$ , and monochromatic synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. The results of electron-microprobe analysis (EMPA) indicate homogeneous compositions, in terms of end-members, as follows: (1) Sps 54 Alm 43 , (2) Sps 90 Alm 8 , (3) Sps 64 Prp 27 Grs 3 , and (4) Sps 73 Alm 19 . Their crystal structures were modeled well as indicated by the Rietveld refinement statistics where the reduced χ 2 and overall R ( F 2 ) values for each sample are: (1) 1.395 and 0.0329, (2) 1.082 and 0.0354, (3) 1.025 and 0.0347, and (4) 1.016 and 0.0413. Two cubic phases occur in samples 2–4, and a single cubic phase occurs in sample-1. The dominant cubic phase-1 with locality, weight fraction (%), unit-cell parameter (Å), distances (Å), and site occupancy factors ( sofs ) are as follows: (1) Brazil: 100%, a = 11.581 54 (1), average = 2.3156, Al–O = 1.8949 (3), Si–O = 1.6376 (3) Å, Mn( sof ) = 0.961(1), Al( sof ) = 0.945(1), and Si( sof ) = 0.936(1); (2) California: 96.67(7)%, a = 11.613 32(1), average = 2.3249, Al–O = 1.8956 (4), Si–O = 1.6416 (4) Å, Mn( sof ) = 0.951(1), Al( sof ) = 0.946(1), and Si( sof ) = 0.927(1); (3) Tanzania: 69.46(6)%, a = 11.598 45(1), average = 2.3199, Al–O = 1.8964 (5), Si–O = 1.6398 (5) Å, Mn( sof ) = 0.808(1), Al( sof ) = 0.942(1), and Si( sof ) = 0.922(1); and (4) Colorado: 98.58(6)%, a = 11.606 89(1), average = 2.3204, Al-O = 1.8948 (6), Si–O = 1.6450 (6) Å, Mn( sof ) = 0.949(1), Al( sof ) = 0.967(2), and Si( sof ) = 0.913(2). The two-phase intergrowth causes strain that arises from mismatch of the structural parameters and gives rise to strain-induced birefringence.

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)0.001
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 score0.024
Threshold uncertainty score0.047

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0010.000
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0080.001

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 head0.011
GPT teacher head0.223
Teacher spread0.212 · 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".

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Citations16
Published2014
Admission routes2
Has abstractyes

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