https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/Head https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4 http://www.nanopub.org/nschema#hasAssertion https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/assertion https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4 http://www.nanopub.org/nschema#hasProvenance https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/provenance https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4 http://www.nanopub.org/nschema#hasPublicationInfo https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/pubinfo https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://www.nanopub.org/nschema#Nanopublication https://w3id.org/np/RAzHErh2-HaaU-Lvz65vBXWi9Dyl0d9uLioySHEpoUHa4/assertion https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://purl.org/dc/terms/description Symmetry expansion of the first COD diamond CIF (by id) in Fd-3m that yields 8 full-occupancy carbons per cell; neighbours within 1.1 times the shortest C-C distance counted and bond angles computed in a 3x3x3 block. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/delphi/ontology/Assessment https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://www.w3.org/2000/01/rdf-schema#comment Measured: 0 largest deviation of a C-C-C bond angle from 109.47 degrees in the refined diamond structure (degrees) (n = 48). Interpretation: The geometry follows exactly from the space group and the Wyckoff position 8a, so a refined structure in Fd-3m with carbon on 8a passes by construction; the empirical content is that diamond refines in that space group with that site, which is what the CIF records. A single structure is enough for the geometry; the number of independent CIFs found is reported. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://www.w3.org/2000/01/rdf-schema#label Claim test of bragg1915-03: supports, confidence 0.95 https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://www.w3.org/2000/01/rdf-schema#seeAlso https://github.com/fractastical/delphisci/blob/bf2af6ee0a84e23ffa6414ad7a0a50a8c276506e/test-data/claim-tests/crystals-and-form/bragg1915-03/result.json https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test http://www.w3.org/ns/prov#wasAttributedTo https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1 https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/admissibleDatasets Planned datasets: cod-search-api https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/assessmentType claim-test/0.1.0 https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/dataKind physical https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/disconfirmingObservation Coordination number other than 4, or any angle off by more than 1 degree: refutes. Angles between 0.1 and 1 degree off: mixed. No ambient Fd-3m diamond CIF with coordinates in the COD: inconclusive. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/evidenceAgainst Deviation: COD writes the space group with an origin-choice suffix ('F d -3 m :1' or ':2'); the suffix is stripped before matching the pre-registered symbol. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/evidenceAgainst Deviation: Entries whose CIF does not expand to 8 full-occupancy carbon positions (the pre-registered Z = 8) are skipped and listed in results.skipped_entries; the first remaining entry by COD id is used. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/evidenceAgainst Passes by construction for any structure refined in Fd-3m with carbon on 8a; the empirical content is that diamond refines there. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/evidenceAgainst Two CIFs were skipped (one with partial occupancy at a displaced site, one with no parseable coordinates) and are listed in results.skipped_entries. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/expectedObservation From the atomic coordinates of a COD diamond CIF (formula C, space group F d -3 m, Z = 8, ambient), expanding symmetry to a 3x3x3 block: every carbon has exactly 4 neighbours within 1.1 times the shortest C-C distance, that distance equals a sqrt(3)/4 within 0.1 per cent, and every bond angle is within 0.1 degree of 109.47: supports. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/failCriterion Coordination number other than 4, or any angle off by more than 1 degree: refutes. Angles between 0.1 and 1 degree off: mixed. No ambient Fd-3m diamond CIF with coordinates in the COD: inconclusive. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/hasConfidence 0.95 https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/hasEvidence https://w3id.org/delphi/resource/evidence/bragg1915-03--claim-test--dataset-1 https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/hasVerdict supports https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/hypothesis If diamond's carbon atoms lie on two interpenetrating face-centred cubic lattices with tetrahedral coordination, a refined diamond structure gives every carbon exactly four nearest neighbours at a sqrt(3)/4 with all six bond angles 109.47 degrees. https://w3id.org/delphi/resource/assessment/bragg1915-03--claim-test https://w3id.org/delphi/ontology/inferenceMethod Symmetry expansion of the first COD diamond CIF (by id) in Fd-3m that yields 8 full-occupancy carbons per cell; 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