[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"detail-sidebar-cat-0-en-105":3,"doc-seo-665594-105":59,"doc-detail-665594-en":130},{"code":4,"msg":5,"data":6},0,"success",[7,13,18,23,28,33,38,43,48,51,55],{"id":8,"doc_module":4,"doc_module_name":9,"category_name":10,"show_sort_weight":11,"slug":12},1,"Document","Story & Novel",90,"story-novel",{"id":14,"doc_module":4,"doc_module_name":9,"category_name":15,"show_sort_weight":16,"slug":17},2,"Literature",80,"literature",{"id":19,"doc_module":4,"doc_module_name":9,"category_name":20,"show_sort_weight":21,"slug":22},4,"Exam",70,"exam",{"id":24,"doc_module":4,"doc_module_name":9,"category_name":25,"show_sort_weight":26,"slug":27},5,"Comic",60,"comic",{"id":29,"doc_module":4,"doc_module_name":9,"category_name":30,"show_sort_weight":31,"slug":32},6,"Technology",50,"technology",{"id":34,"doc_module":4,"doc_module_name":9,"category_name":35,"show_sort_weight":36,"slug":37},7,"Healthcare",40,"healthcare",{"id":39,"doc_module":4,"doc_module_name":9,"category_name":40,"show_sort_weight":41,"slug":42},8,"Research & Report",30,"research-report",{"id":44,"doc_module":4,"doc_module_name":9,"category_name":45,"show_sort_weight":46,"slug":47},9,"Religion & Spirituality",20,"religion-spirituality",{"id":46,"doc_module":4,"doc_module_name":9,"category_name":49,"show_sort_weight":46,"slug":50},"World Cup","world-cup",{"id":52,"doc_module":4,"doc_module_name":9,"category_name":53,"show_sort_weight":52,"slug":54},10,"Lifestyle","lifestyle",{"id":56,"doc_module":4,"doc_module_name":9,"category_name":57,"show_sort_weight":24,"slug":58},19,"General","general",{"code":4,"msg":60,"data":61},"ok",{"site_id":62,"language":63,"slug":64,"title":65,"keywords":66,"description":67,"schema_data":68,"social_meta":123,"head_meta":125,"extra_data":127,"updated_unix":129},105,"en","composition-space-diagrams-for-mixed-transition-metal-oxide-fluorides","Composition Space Diagrams for Mixed Transition Metal Oxide Fluorides","","Composition space diagrams are used to study phase stability and selective crystallization in mixed transition metal oxide fluorides synthesized by hydrothermal reaction of metal oxides in (HF)xâpyridine/H2O/pyridine solution at 150 °C under autogenous pressure. Early transition metals (Ti, Zr, Hf, Nb, Ta, Mo, W) and late metals (Cu, Cd, Zn) are varied by mole ratios and reactant concentrations. Single-crystal cations [Cu(py)4]2+, [Cd(py)4]2+, [Zn(py)4]2+ and corresponding anions form, with stability governed by anion charge distribution and solution composition. Two new structures are reported: Cu(NC5H5)4TaOF5 and Cu(NC5H5)4TiF6â3H2O.",{"@graph":69,"@context":122},[70,84,105],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":40,"@type":76,"position":81},"https://docshare.wps.com/document/research-report/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/composition-space-diagrams-for-mixed-transition-metal-oxide-fluorides/665594/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":99,"encodingFormat":97,"isAccessibleForFree":100,"interactionStatistic":101},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/composition-space-diagrams-for-mixed-transition-metal-oxide-fluorides/665594.png","ImageObject",300,407,{"name":92,"@type":93},"The UK Girl","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-10-30","2026-10-29",true,{"@type":102,"interactionType":103,"userInteractionCount":81},"InteractionCounter",{"@type":104},"ViewAction",{"@type":106,"mainEntity":107},"FAQPage",[108,114,118],{"name":109,"@type":110,"acceptedAnswer":111},"What is the purpose of composition space diagrams in this study?","Question",{"text":112,"@type":113},"They map selective crystallization (crystallization fields) by relating crystalline products to initial reactant mole fractions, while focusing on analyzed solid products rather than amorphous phases or species remaining in solution.","Answer",{"name":115,"@type":110,"acceptedAnswer":116},"Which reaction conditions and variables are varied for crystallization field mapping?",{"text":117,"@type":113},"Hydrothermal reactions are conducted at 150 °C under autogenous pressure, and composition is varied by changing mole fractions of metal oxides, (HF)xâpyridine, and H2O. Temperature and solvent amount are held constant.",{"name":119,"@type":110,"acceptedAnswer":120},"How are the new crystal structures reported in the paper identified?",{"text":121,"@type":113},"Two new mixed metal oxide fluoride structures are reported as Cu(NC5H5)4TaOF5 and Cu(NC5H5)4TiF6â3H2O, with crystallographic details given for their monoclinic space group C2/c.","https://schema.org",{"og:url":83,"og:type":124,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":126,"canonical":83},"index,follow",{"doc_id":128,"site_id":62},665594,1793305067,{"code":4,"msg":5,"data":131},{"doc_id":128,"user_id":132,"nickname":92,"user_avatar":133,"doc_module":4,"category_id":39,"category_name":40,"doc_title":65,"doc_description":67,"doc_content":134,"file_id":135,"file_url":136,"file_type":137,"file_size":138,"view_count":81,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":34,"language":139,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":67,"update_tm":129,"read_time":143},2199028711991,"https://us-avatar.wpscdn.com/davatar_994ba38a5ba835b3df7d355c54d3ed8d","Inorg. Chem. 1998, 37, 6495-6501 6495  \nComposition Space Diagrams for Mixed Transition Metal Oxide Fluorides  \nAlexander J. Norquist, Kevin R. Heier, Charlotte L. Stern, and Kenneth R. Poeppelmeier*  \nDepartment of Chemistry, Northwestern University, Evanston, Illinois 60208-3113  \nReceiVed June 24, 1998  \nComposition space diagrams have been used to study phase stability of mixed transition metal oxide fluorides synthesized by hydrothermal reaction of the metal oxides in (HF)xâpyridine/H2O/pyridine solution (150 °C, autogenous pressure) . The combination of early (Ti, Zr, Hf, Nb, Ta, Mo, W) and late (Cu, Cd, Zn) transition metals and the effects of varying the mole ratios of the metals,(HF)xâpyridine, and water are examined in this study. Single-crystal products containing [Cu(py)4]2+,[Cd(py)4]2+, or [Zn(py)4]2+ cations and [TiF6]2-,[ZrF6]2- ,[HfF6]2-, [NbOF5]2-, [TaOF5]2-,[MoO2F4]2-, or [WO2F4]2-anions are recovered. Relative stability of the crystalline products is governed by the negative charge distribution on the anions, as well as the concentrations of each reactant in solution. Two new structures are reported: Cu(NC5H5)4TaOF5 and Cu(NC5H5)4TiF6â3H2O. Crystal data: for Cu(NC5H5)4TaOF5, monoclinic, space group C2/c (No. 15), with a ) 10.541(3) Å, b ) 13.547(6)Å, c ) 16.04(1) Å, â ) 97.73(5)°, and Z ) 4; for Cu(NC5H5)4TiF6â3H2O, monoclinic, space group C2/c (No. 15), with a ) 12.767(4) Å, b ) 12.048(2) Å, c ) 17.787(6) Å, â ) 109.9(1)°, and Z ) 4.  \nIntroduction  \nHydrothermal reactions provide a convenient and efficient method to study the crystallization fields of mixed transition metal oxide flourides. Hydrogen fluoride is used to dissolve metal oxides under hydrothermal conditions (150 °C, autogenous pressure) in pyridinium poly(hydrogen fluoride)/H2O/pyridine solutions. Slowly cooling these solutions results in single crystals of new mixed metal oxide fluoride compounds. In each system an early (Ti, Zr, Hf, Nb, Ta, Mo, W) and a late (Cu, Cd, Zn) transition metal are used. The early transition metals are “hard”acids and coordinate the “hard” bases in solution (F-and O2- ), while the late transition metals are “soft” acids and coordinate the “soft” bases in solution (pyridine (py)) . The “soft” metals form [Cu(py)4]2+,[Cd(py)4]2+, and [Zn(py)4]2+ cations, while the “hard” metals form [TiF6]2-,[ZrF6]2-,[HfF6]2-,[NbOF5]2-,[TaOF5]2-,[MoO2F4]2-, and [WO2F4]2-anions. Other important species, such as hydronium (H3O+) and pyridinium (pyH+) cations and F- anions, are also present in solution. Which species combine to form the crystalline products depends on the negative charge distribution on the anions, the fluoride affinity of the cations, and the mole fraction in solution of each reaction component (Figure 1) .  \nTo report the variables involved in these hydrothermal reactions,“composition space” diagrams have been developed. Composition space diagrams are similar to ternary phase diagrams in that the products are directly related to initial reactant mole fractions. The concentration of the three reactants, namely, metal oxides,(HF)xâpyridine, and H2O, are recorded in each composition space diagram. Approximately 20 reactions are run at varying mole fractions of each of these reactants, while other variables such as temperature and amount of solvent are held constant.1 The crystalline products of the reactions are  \n* Corresponding author.  \nanalyzed and the results plotted on the diagram to determine“crystallization fields”, that is, areas of selective crystallization, for each product. Composition space diagrams are not phase diagrams as only the crystalline products are analyzed, while products which are amorphous or remain in solution are neglected. In addition, the boundaries separating the crystallization fields are not sharp. In the area adjacent to a boundary, a mixture of crystalline products is often observed. Nevertheless, the composition space diagram is a useful tool to help plan reactions and rationalize the ","cbCaibTfRW2fizgz","https://ap.wps.com/l/cbCaibTfRW2fizgz","pdf",159703,"English","# Introduction\n## Hydrothermal synthesis and role of early/late transition metals\n## Composition space diagrams vs. phase diagrams\n# Experimental Section\n## Materials\n## Synthesis","[{\"question\":\"What is the purpose of composition space diagrams in this study?\",\"answer\":\"They map selective crystallization (crystallization fields) by relating crystalline products to initial reactant mole fractions, while focusing on analyzed solid products rather than amorphous phases or species remaining in solution.\"},{\"question\":\"Which reaction conditions and variables are varied for crystallization field mapping?\",\"answer\":\"Hydrothermal reactions are conducted at 150 °C under autogenous pressure, and composition is varied by changing mole fractions of metal oxides, (HF)xâpyridine, and H2O. Temperature and solvent amount are held constant.\"},{\"question\":\"How are the new crystal structures reported in the paper identified?\",\"answer\":\"Two new mixed metal oxide fluoride structures are reported as Cu(NC5H5)4TaOF5 and Cu(NC5H5)4TiF6â3H2O, with crystallographic details given for their monoclinic space group C2/c.\"}]","Composition Space Diagrams for Mixed Transition Metal Oxide Fluorides | PDF",18]