{"doi":"10.1002/jccs.201000130","title":"Crystal Structure and Phase Transitions of Gd(CO<sub>3</sub>)OH Studied by Synchrotron Powder Diffraction","abstract":"<jats:title>Abstract</jats:title><jats:p>The crystal structure of Gd(CO<jats:sub>3</jats:sub>)OH was solved using synchrotron powder X‐ray diffraction. Gd(CO<jats:sub>3</jats:sub>)OH was known to exist in a form Gd<jats:sub>2</jats:sub>O(CO<jats:sub>3</jats:sub>)<jats:sub>2</jats:sub>·H<jats:sub>2</jats:sub>O and its powder pattern has been listed in JCPDF (#430604) for decades, but the crystal structure has not yet been elucidated. The crystal structure is solved with simulated annealing and the DASH program. The final Rietveld refinement converged to R<jats:sub>wp</jats:sub> =6.28%, R<jats:sub>p</jats:sub> = 4.47%and χ<jats:sup>2</jats:sup> = 1.348, using the GSAS program. Gd(CO<jats:sub>3</jats:sub>)OH crystallizes in orthorhombic system with lattice parameters <jats:italic>a</jats:italic> = 7.08109(9), <jats:italic>b</jats:italic> = 4.88436(7), <jats:italic>c</jats:italic> = 8.45010(13)Å and space group <jats:italic>P nma</jats:italic>. Gd(CO<jats:sub>3</jats:sub>)OH forms a three‐dimensional framework with an eight‐membered ring, a one‐dimensional channel and OH<jats:sup>−</jats:sup> in the cavity. XANES of Gd <jats:italic>L</jats:italic><jats:sub><jats:italic>III</jats:italic></jats:sub>‐edge indicates that the oxidation state of Gd is 3+. Two phase transitions of Gd(CO<jats:sub>3</jats:sub>)OH were found at 500 and 650 °C to yield Gd<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub> and Gd<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> respectively.</jats:p>","journal":"Journal of the Chinese Chemical Society","year":2010,"id":661868,"datarank":0.3596842909197557,"base_score":2.3978952727983707,"endowment":2.3978952727983707,"self_citation_contribution":0.3596842909197557,"citation_network_contribution":0.0,"self_endowment_contribution":0.3596842909197557,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":10,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1727875,"name":"Wei‐Ju Shih","orcid":null,"position":1,"is_corresponding":false},{"id":1727876,"name":"Wei‐Tsung Chuang","orcid":null,"position":2,"is_corresponding":false},{"id":1727877,"name":"I‐Fang Li","orcid":null,"position":3,"is_corresponding":false},{"id":1727878,"name":"Chen‐Sheng Yeh","orcid":null,"position":4,"is_corresponding":false},{"id":1727874,"name":"Hwo‐Shuenn Sheu","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Crystal Structure and Phase Transitions of Gd(CO<sub>3</sub>)OH Studied by Synchrotron Powder Diffraction","abstract":"<jats:title>Abstract</jats:title><jats:p>The crystal structure of Gd(CO<jats:sub>3</jats:sub>)OH was solved using synchrotron powder X‐ray diffraction. Gd(CO<jats:sub>3</jats:sub>)OH was known to exist in a form Gd<jats:sub>2</jats:sub>O(CO<jats:sub>3</jats:sub>)<jats:sub>2</jats:sub>·H<jats:sub>2</jats:sub>O and its powder pattern has been listed in JCPDF (#430604) for decades, but the crystal structure has not yet been elucidated. The crystal structure is solved with simulated annealing and the DASH program. The final Rietveld refinement converged to R<jats:sub>wp</jats:sub> =6.28%, R<jats:sub>p</jats:sub> = 4.47%and χ<jats:sup>2</jats:sup> = 1.348, using the GSAS program. Gd(CO<jats:sub>3</jats:sub>)OH crystallizes in orthorhombic system with lattice parameters <jats:italic>a</jats:italic> = 7.08109(9), <jats:italic>b</jats:italic> = 4.88436(7), <jats:italic>c</jats:italic> = 8.45010(13)Å and space group <jats:italic>P nma</jats:italic>. Gd(CO<jats:sub>3</jats:sub>)OH forms a three‐dimensional framework with an eight‐membered ring, a one‐dimensional channel and OH<jats:sup>−</jats:sup> in the cavity. XANES of Gd <jats:italic>L</jats:italic><jats:sub><jats:italic>III</jats:italic></jats:sub>‐edge indicates that the oxidation state of Gd is 3+. Two phase transitions of Gd(CO<jats:sub>3</jats:sub>)OH were found at 500 and 650 °C to yield Gd<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>CO<jats:sub>3</jats:sub> and Gd<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> respectively.</jats:p>","is_dataset_classified":null,"base_score":2.3978952727983707,"endowment":2.3978952727983707,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"19162232","pmcid":null,"openalex_id":"https://openalex.org/W2162884580","authors":[],"funders":[],"total_grants":0,"fwci":0.0,"citation_percentile":0.14362322,"influential_citations":0,"citation_trend":[{"year":2014,"count":2},{"year":2015,"count":1},{"year":2018,"count":3},{"year":2020,"count":2},{"year":2024,"count":1},{"year":2026,"count":1}],"oa_status":"closed","license":"http://onlinelibrary.wiley.com/termsAndConditions#vor","oa_locations":[{"url":"https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fjccs.201000130","host_type":"publisher"},{"url":"https://onlinelibrary.wiley.com/doi/pdf/10.1002/jccs.201000130","host_type":"publisher"},{"url":"https://doi.org/10.1002/jccs.201000130","host_type":"journal"}],"fields_of_study":["X-ray Diffraction in Crystallography","Nuclear materials and radiation effects","Microwave Dielectric Ceramics Synthesis"],"mesh_terms":[],"keywords":["Chemistry","Crystallography","Orthorhombic crystal system","Crystal structure","Powder diffraction","Synchrotron","XANES","Rietveld refinement","Spectroscopy"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Clean water and sanitation"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-12T11:49:53.777658Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}