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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." } ], "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "Claim test of bragg1915-03: supports, confidence 0.95" } ], "http://www.w3.org/2000/01/rdf-schema#seeAlso": [ { "@id": "https://github.com/fractastical/delphisci/blob/bf2af6ee0a84e23ffa6414ad7a0a50a8c276506e/test-data/claim-tests/crystals-and-form/bragg1915-03/result.json" } ], "http://www.w3.org/ns/prov#wasAttributedTo": [ { "@id": "https://w3id.org/delphi/resource/agent/delphisci-claim-tester-claude-fable-5-1" } ], "https://w3id.org/delphi/ontology/admissibleDatasets": [ { "@value": "Planned datasets: cod-search-api" } ], "https://w3id.org/delphi/ontology/assessmentType": [ { "@value": "claim-test/0.1.0" } ], "https://w3id.org/delphi/ontology/dataKind": [ { "@value": "physical" } ], "https://w3id.org/delphi/ontology/disconfirmingObservation": [ { "@value": "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/ontology/evidenceAgainst": [ { "@value": "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." }, { "@value": "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." }, { "@value": "Passes by construction for any structure refined in Fd-3m with carbon on 8a; the empirical content is that diamond refines there." }, { "@value": "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/ontology/expectedObservation": [ { "@value": "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/ontology/failCriterion": [ { "@value": "Coordination number other than 4, or any angle off by more than 1 degree: refutes. Angles between 0.1 and 1 degree off: mixed. 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