{"id":"https://openalex.org/W2017699992","doi":"https://doi.org/10.1021/ic061157g","title":"Structure and Bonding in SnWO4, PbWO4, and BiVO4: Lone Pairs vs Inert Pairs","display_name":"Structure and Bonding in SnWO4, PbWO4, and BiVO4: Lone Pairs vs Inert Pairs","publication_year":2007,"publication_date":"2007-04-19","ids":{"openalex":"https://openalex.org/W2017699992","doi":"https://doi.org/10.1021/ic061157g","mag":"2017699992","pmid":"https://pubmed.ncbi.nlm.nih.gov/17441708"},"language":"en","primary_location":{"id":"doi:10.1021/ic061157g","doi":"https://doi.org/10.1021/ic061157g","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ic061157g","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2017699992"],"child_works_count":1,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5072063615","display_name":"Matthew W. Stoltzfus","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]},{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]},{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Matthew W. Stoltzfus","raw_affiliation_strings":["Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996","institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071784856","display_name":"Patrick M. Woodward","orcid":"https://orcid.org/0000-0002-3441-2148","observed_orcids":["https://orcid.org/0000-0002-3441-2148"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]},{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]},{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Patrick M. Woodward","raw_affiliation_strings":["Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996","institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003335751","display_name":"Ram Seshadri","orcid":"https://orcid.org/0000-0001-5858-4027","observed_orcids":["https://orcid.org/0000-0001-5858-4027"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]},{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]},{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ram Seshadri","raw_affiliation_strings":["Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996","institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108482706","display_name":"Jae-Hyun Klepeis","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]},{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]},{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jae-Hyun Klepeis","raw_affiliation_strings":["Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996","institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003059315","display_name":"Bruce E. Bursten","orcid":"https://orcid.org/0000-0001-9892-6896","observed_orcids":["https://orcid.org/0000-0001-9892-6896"]},"institutions":[{"id":"https://openalex.org/I1282311441","display_name":"Lawrence Livermore National Laboratory","ror":"https://ror.org/041nk4h53","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282311441","https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210138311"]},{"id":"https://openalex.org/I154570441","display_name":"University of California, Santa Barbara","ror":"https://ror.org/02t274463","country_code":"US","type":"education","lineage":["https://openalex.org/I154570441"]},{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]},{"id":"https://openalex.org/I75027704","display_name":"University of Tennessee at Knoxville","ror":"https://ror.org/020f3ap87","country_code":"US","type":"education","lineage":["https://openalex.org/I75027704"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bruce Bursten","raw_affiliation_strings":["Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, Materials Department, University of California, Santa Barbara, California 93106, Lawrence Livermore National Laboratory, Livermore, California 94550, and Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996","institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5071784856"],"corresponding_institution_ids":["https://openalex.org/I1282311441","https://openalex.org/I154570441","https://openalex.org/I52357470","https://openalex.org/I75027704"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":7.8762,"has_fulltext":false,"cited_by_count":315,"citation_normalized_percentile":{"value":0.98485496,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"46","issue":"10","first_page":"3839","last_page":"3850"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.4814000129699707,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10939","display_name":"Crystal Structures and Properties","score":0.4814000129699707,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11128","display_name":"Transition Metal Oxide Nanomaterials","score":0.07720000296831131,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.07609999924898148,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lead-tungstate","display_name":"lead tungstate","score":1.0},{"id":"https://openalex.org/keywords/bismuth-vanadate","display_name":"bismuth vanadate","score":1.0},{"id":"https://openalex.org/keywords/lone-pair-cations","display_name":"lone-pair cations","score":0.949999988079071},{"id":"https://openalex.org/keywords/inert-pair-effect","display_name":"inert pair effect","score":0.7269999980926514},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.3959999978542328},{"id":"https://openalex.org/keywords/scheelite-type-structure","display_name":"scheelite structure","score":0.8040000200271606},{"id":"https://openalex.org/keywords/zircon-structure","display_name":"zircon structure","score":0.906000018119812},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.7080000042915344},{"id":"https://openalex.org/keywords/crystal-chemistry","display_name":"crystal chemistry","score":0.37599998712539673}],"concepts":[{"id":"https://openalex.org/C46000676","wikidata":"https://www.wikidata.org/wiki/Q804644","display_name":"Lone pair","level":3,"score":0.9047898054122925},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8500775694847107},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.659303605556488},{"id":"https://openalex.org/C95269574","wikidata":"https://www.wikidata.org/wiki/Q1108736","display_name":"Antibonding molecular orbital","level":4,"score":0.6469341516494751},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.6292623281478882},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.5488206148147583},{"id":"https://openalex.org/C2780652833","wikidata":"https://www.wikidata.org/wiki/Q409096","display_name":"Scheelite","level":3,"score":0.5184264183044434},{"id":"https://openalex.org/C196609583","wikidata":"https://www.wikidata.org/wiki/Q900190","display_name":"Electron pair","level":3,"score":0.5056135654449463},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4593944549560547},{"id":"https://openalex.org/C192095803","wikidata":"https://www.wikidata.org/wiki/Q106675","display_name":"Pnictogen","level":3,"score":0.4224429726600647},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.38500067591667175},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3408566117286682},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3160414397716522},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.23075130581855774},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.22491827607154846},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.13094466924667358},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.08644700050354004},{"id":"https://openalex.org/C542268612","wikidata":"https://www.wikidata.org/wiki/Q743","display_name":"Tungsten","level":2,"score":0.0},{"id":"https://openalex.org/C54101563","wikidata":"https://www.wikidata.org/wiki/Q124131","display_name":"Superconductivity","level":2,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ic061157g","doi":"https://doi.org/10.1021/ic061157g","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ic061157g","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic Chemistry","raw_type":"journal-article"},{"id":"pmid:17441708","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17441708","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Inorganic chemistry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W1971320936","https://openalex.org/W1975048011","https://openalex.org/W1976148123","https://openalex.org/W1978888539","https://openalex.org/W1987505055","https://openalex.org/W1998866028","https://openalex.org/W2003779791","https://openalex.org/W2004627020","https://openalex.org/W2004742000","https://openalex.org/W2005400443","https://openalex.org/W2014392857","https://openalex.org/W2029144196","https://openalex.org/W2029897578","https://openalex.org/W2034351886","https://openalex.org/W2034551600","https://openalex.org/W2040408025","https://openalex.org/W2041383172","https://openalex.org/W2044923068","https://openalex.org/W2046192849","https://openalex.org/W2047548160","https://openalex.org/W2049575310","https://openalex.org/W2055464599","https://openalex.org/W2060616350","https://openalex.org/W2064484471","https://openalex.org/W2069018383","https://openalex.org/W2069958718","https://openalex.org/W2087585288","https://openalex.org/W2088043604","https://openalex.org/W2093914988","https://openalex.org/W2111319376","https://openalex.org/W2121431463","https://openalex.org/W2125539579","https://openalex.org/W2126586778","https://openalex.org/W2144841165","https://openalex.org/W2148430962","https://openalex.org/W2149144625","https://openalex.org/W2312201898","https://openalex.org/W2510595779","https://openalex.org/W2601709297","https://openalex.org/W2950753222","https://openalex.org/W3206606417","https://openalex.org/W4210949282","https://openalex.org/W4242647571","https://openalex.org/W4243131708","https://openalex.org/W4247469428"],"related_works":["https://openalex.org/W2126586778","https://openalex.org/W2007120948","https://openalex.org/W2096867388","https://openalex.org/W2795547329","https://openalex.org/W1904907845","https://openalex.org/W2951844842","https://openalex.org/W1987505055","https://openalex.org/W4398144701","https://openalex.org/W3045959611","https://openalex.org/W2064484471"],"abstract_inverted_index":{"Three":[0],"ternary":[1],"oxides,":[2],"SnWO4,":[3],"PbWO4,":[4],"and":[5,26,80,151],"BiVO4,":[6],"containing":[7,149],"p-block":[8],"cations":[9],"with":[10,64,114,137,163,231,245],"ns2np0":[11],"electron":[12,144],"configurations,":[13],"so-called":[14],"lone":[15,51,145,214,258],"pair":[16,52,215,259],"cations,":[17],"have":[18],"been":[19],"studied":[20],"theoretically":[21],"using":[22],"density":[23],"functional":[24],"theory":[25],"UV-visible":[27],"diffuse":[28,254],"reflectance":[29],"spectroscopy.":[30],"The":[31,54,86,221],"computations":[32],"reveal":[33],"significant":[34,74],"differences":[35],"in":[36,169,250,260],"the":[37,45,50,59,65,98,101,106,115,128,131,138,153,157,171,186,191,195,198,208,239,256,263,271,275],"underlying":[38],"electronic":[39,272],"structures":[40,78,224,232],"that":[41,134,233,242],"are":[42,229],"responsible":[43],"for":[44,211],"varied":[46],"crystal":[47,172],"chemistry":[48],"of":[49,58,68,76,89,100,130,141,156,175,185,193,197,223],"cations.":[53],"filled":[55],"5s":[56],"orbitals":[57,67],"Sn2+":[60,102,257],"ion":[61],"interact":[62],"strongly":[63],"2p":[66,110],"oxygen,":[69,164],"which":[70],"leads":[71,181],"to":[72,104,112,182,218],"a":[73,123,142,183,212,246,266],"destabilization":[75],"symmetric":[77,187,235],"(scheelite":[79],"zircon)":[81],"favored":[82],"by":[83,96],"electrostatic":[84],"forces.":[85],"destabilizing":[87],"effect":[88],"this":[90,180,206],"interaction":[91,121,162],"can":[92],"be":[93,219],"significantly":[94],"reduced":[95],"lowering":[97],"symmetry":[99],"site":[103],"enable":[105],"antibonding":[107],"Sn":[108,117],"5s-O":[109],"states":[111],"mix":[113],"unfilled":[116],"5p":[118],"orbitals.":[119],"This":[120],"produces":[122],"localized,":[124],"nonbonding":[125],"state":[126],"at":[127],"top":[129],"valence":[132],"band":[133],"corresponds":[135],"closely":[136],"classical":[139],"notion":[140],"stereoactive":[143,213],"pair.":[146],"In":[147,178,190],"compounds":[148],"Pb2+":[150],"Bi3+":[152,227,236,248],"relativistic":[154],"contraction":[155],"6s":[158,200],"orbital":[159,201],"reduces":[160],"its":[161,167],"effectively":[165],"diminishing":[166],"role":[168],"shaping":[170],"chemical":[173],"preferences":[174],"these":[176],"ions.":[177],"PbWO4":[179],"stabilization":[184],"scheelite":[188],"structure.":[189],"case":[192],"BiVO4":[194,251],"energy":[196],"Bi":[199],"is":[202,252],"further":[203],"stabilized.":[204],"Despite":[205],"stabilization,":[207],"driving":[209],"force":[210],"distortion":[216,264],"appears":[217],"enhanced.":[220],"energies":[222],"exhibiting":[225],"distorted":[226,247],"environments":[228],"competitive":[230],"possess":[234],"environments.":[237],"Nevertheless,":[238],"\"lone":[240],"pair\"":[241],"results":[243],"associated":[244],"environment":[249],"more":[253],"than":[255],"beta-SnWO4.":[261],"Furthermore,":[262],"has":[265],"much":[267],"smaller":[268],"impact":[269],"on":[270],"structure":[273],"near":[274],"Fermi":[276],"level.":[277]},"counts_by_year":[{"year":2026,"cited_by_count":12},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":16},{"year":2023,"cited_by_count":12},{"year":2022,"cited_by_count":17},{"year":2021,"cited_by_count":19},{"year":2020,"cited_by_count":20},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":16},{"year":2017,"cited_by_count":10},{"year":2016,"cited_by_count":16},{"year":2015,"cited_by_count":18},{"year":2014,"cited_by_count":22},{"year":2013,"cited_by_count":23},{"year":2012,"cited_by_count":19}],"updated_date":"2026-11-15T12:55:33.944570","created_date":"2016-06-24T00:00:00"}
