{"id":"W2045690073","doi":"10.1180/0026461056930249","title":"Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO<sub>4</sub>·7H<sub>2</sub>O)","year":2005,"lang":"en","type":"article","venue":"Mineralogical Magazine","topic":"X-ray Diffraction in Crystallography","field":"Materials Science","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nuclear Laboratories; Queen's University","funders":"","keywords":"Crystallography; Neutron diffraction; Rietveld refinement; Octahedron; Materials science; Crystal structure; Powder diffraction; Single crystal; Bond length; Hydrogen bond; Neutron; Group (periodic table); Chemistry; Molecule; Physics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008721714,0.0004117964,0.001092912,0.0005781598,0.0004309636,0.0004330639,0.0006779949,0.0002686939,0.00100169],"category_scores_gemma":[0.0007721102,0.0004195943,0.0003078681,0.0009354259,0.0003186909,0.0002594406,0.0004050547,0.0005014359,0.0001943606],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006842512,"about_ca_system_score_gemma":0.001039004,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01106646,"about_ca_topic_score_gemma":0.0328607,"domain_scores_codex":[0.9995973,0.00005582633,0.0000218763,0.00004267172,0.0002560855,0.00002630243],"domain_scores_gemma":[0.9997626,0.00003045987,0.000029733,0.00002675165,0.0001268392,0.00002368469],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000816453,0.0001416051,0.009483448,0.0004739298,0.0003029101,0.0003817573,0.0003750703,0.01193693,0.9288726,0.001454636,0.004496127,0.04126447],"study_design_scores_gemma":[0.001457153,0.001027776,0.1329083,0.0000861981,0.0005692781,0.001490262,0.001751939,0.1244496,0.6442631,0.001581401,0.09026483,0.0001501785],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9786371,0.001023233,0.01218679,0.0002383599,0.000061404,0.0001174519,0.002514536,0.0004296465,0.004791456],"genre_scores_gemma":[0.9476292,0.001273229,0.03904086,0.0001083288,0.00001476711,0.0001060678,0.008355387,0.0001428961,0.003329268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01106646,"threshold_uncertainty_score":0.02200413,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01090772093603559,"score_gpt":0.2126029705677183,"score_spread":0.2016952496316827,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}