{"id":"https://openalex.org/W2331363428","doi":"https://doi.org/10.1127/0935-1221/2011/0023-2105","title":"Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction","display_name":"Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction","publication_year":2011,"publication_date":"2011-07-13","ids":{"openalex":"https://openalex.org/W2331363428","doi":"https://doi.org/10.1127/0935-1221/2011/0023-2105","mag":"2331363428"},"language":"en","primary_location":{"id":"doi:10.1127/0935-1221/2011/0023-2105","doi":"https://doi.org/10.1127/0935-1221/2011/0023-2105","is_oa":false,"landing_page_url":"https://doi.org/10.1127/0935-1221/2011/0023-2105","pdf_url":null,"source":{"id":"https://openalex.org/S114012392","display_name":"European Journal of Mineralogy","issn_l":"0935-1221","issn":["0935-1221","1617-4011"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-d","jufo-1","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"European Journal of Mineralogy","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj"],"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/A5061988007","display_name":"Roberto Giustetto","orcid":"https://orcid.org/0000-0003-4131-2169","observed_orcids":["https://orcid.org/0000-0003-4131-2169"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Roberto Giustetto","raw_affiliation_strings":["University of Turin"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Turin","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022108202","display_name":"Davide Levy","orcid":"https://orcid.org/0000-0002-8018-4836","observed_orcids":["https://orcid.org/0000-0002-8018-4836"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Davide Levy","raw_affiliation_strings":["University of Turin"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Turin","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047762724","display_name":"Olivia Wahyudi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Olivia Wahyudi","raw_affiliation_strings":["University of Turin"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Turin","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029701981","display_name":"Gabriele Ricchiardi","orcid":"https://orcid.org/0000-0003-2476-3910","observed_orcids":["https://orcid.org/0000-0003-2476-3910"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gabriele Ricchiardi","raw_affiliation_strings":["University of Turin"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Turin","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5004058924","display_name":"Jenny G. Vitillo","orcid":"https://orcid.org/0000-0002-6213-2039","observed_orcids":["https://orcid.org/0000-0002-6213-2039"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Jenny G. Vitillo","raw_affiliation_strings":["Dipartimento di Chimica IFM, Universita\u0300 degli Studi di Torino, via Pietro Giuria 7, 10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, Universita\u0300 degli Studi di Torino, via Pietro Giuria 7, 10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I55143463"],"apc_list":{"value":950,"currency":"EUR","value_usd":1024},"apc_paid":null,"fwci":37.6971,"has_fulltext":false,"cited_by_count":46,"citation_normalized_percentile":{"value":0.9966849,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"23","issue":"3","first_page":"449","last_page":"466"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11212","display_name":"Cultural Heritage Materials Analysis","score":0.8798999786376953,"subfield":{"id":"https://openalex.org/subfields/1204","display_name":"Archeology"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T11212","display_name":"Cultural Heritage Materials Analysis","score":0.8798999786376953,"subfield":{"id":"https://openalex.org/subfields/1204","display_name":"Archeology"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T11852","display_name":"Clay minerals and soil interactions","score":0.05860000103712082,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.02500000037252903,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/maya-blue","display_name":"Maya Blue","score":0.9390000104904175},{"id":"https://openalex.org/keywords/sepiolite","display_name":"sepiolite","score":0.972000002861023},{"id":"https://openalex.org/keywords/indigo","display_name":"indigo","score":0.9120000004768372},{"id":"https://openalex.org/keywords/palygorskite","display_name":"attapulgite","score":0.796999990940094},{"id":"https://openalex.org/keywords/inclusion-compounds","display_name":"inclusion compounds","score":0.6959999799728394},{"id":"https://openalex.org/keywords/dye-encapsulation","display_name":"dye encapsulation","score":0.6800000071525574},{"id":"https://openalex.org/keywords/zeolitic-water","display_name":"zeolitic water","score":0.7269999980926514},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.8949999809265137},{"id":"https://openalex.org/keywords/molecular-disease","display_name":"molecular disorder","score":0.6179999709129333},{"id":"https://openalex.org/keywords/crystal-structure-refinement","display_name":"crystal structure refinement","score":0.7609999775886536},{"id":"https://openalex.org/keywords/rietveld-refinement","display_name":"Rietveld refinement","score":0.8240000009536743},{"id":"https://openalex.org/keywords/molecular-mechanics","display_name":"molecular mechanics","score":0.5419999957084656},{"id":"https://openalex.org/keywords/difference-fourier-maps","display_name":"difference Fourier maps","score":0.6940000057220459}],"concepts":[{"id":"https://openalex.org/C142316359","wikidata":"https://www.wikidata.org/wiki/Q5967009","display_name":"Indigo","level":2,"score":0.9011052846908569},{"id":"https://openalex.org/C2781151301","wikidata":"https://www.wikidata.org/wiki/Q414096","display_name":"Sepiolite","level":3,"score":0.7046265602111816},{"id":"https://openalex.org/C64584667","wikidata":"https://www.wikidata.org/wiki/Q161179","display_name":"Pigment","level":2,"score":0.6847259998321533},{"id":"https://openalex.org/C21368211","wikidata":"https://www.wikidata.org/wiki/Q689863","display_name":"Synchrotron","level":2,"score":0.597771167755127},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5563762784004211},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5242693424224854},{"id":"https://openalex.org/C50515024","wikidata":"https://www.wikidata.org/wiki/Q826582","display_name":"X-ray crystallography","level":3,"score":0.5021517276763916},{"id":"https://openalex.org/C179335157","wikidata":"https://www.wikidata.org/wiki/Q223890","display_name":"Maya","level":2,"score":0.48504728078842163},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4752759039402008},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.437821626663208},{"id":"https://openalex.org/C207114421","wikidata":"https://www.wikidata.org/wiki/Q133900","display_name":"Diffraction","level":2,"score":0.4300258159637451},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.36841124296188354},{"id":"https://openalex.org/C199289684","wikidata":"https://www.wikidata.org/wiki/Q83353","display_name":"Mineralogy","level":1,"score":0.3665348291397095},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.2492603361606598},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11107459664344788},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.06797224283218384},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.06242614984512329},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.05186060070991516},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.04459726810455322},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C206139338","wikidata":"https://www.wikidata.org/wiki/Q192355","display_name":"Raw material","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1127/0935-1221/2011/0023-2105","doi":"https://doi.org/10.1127/0935-1221/2011/0023-2105","is_oa":false,"landing_page_url":"https://doi.org/10.1127/0935-1221/2011/0023-2105","pdf_url":null,"source":{"id":"https://openalex.org/S114012392","display_name":"European Journal of Mineralogy","issn_l":"0935-1221","issn":["0935-1221","1617-4011"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","dongbi-d","jufo-1","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"European Journal of Mineralogy","raw_type":"journal-article"},{"id":"pmh:oai:irinsubria.uninsubria.it:11383/2076404","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11383/2076404","pdf_url":null,"source":{"id":"https://openalex.org/S4377196351","display_name":"IrInSubria (University of Insubria)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I115752224","host_organization_name":"University of Insubria","host_organization_lineage":["https://openalex.org/I115752224"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:iris.unito.it:2318/95411","doi":null,"is_oa":false,"landing_page_url":"https://hdl.handle.net/2318/95411","pdf_url":null,"source":{"id":"https://openalex.org/S4306400637","display_name":"Institutional Research Information System University of Turin (University of Turin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I55143463","host_organization_name":"University of Turin","host_organization_lineage":["https://openalex.org/I55143463"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"display_name":"Life on land","score":0.6000000238418579,"id":"https://metadata.un.org/sdg/15"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":34,"referenced_works":["https://openalex.org/W1964208747","https://openalex.org/W1965752441","https://openalex.org/W1967392868","https://openalex.org/W1967988125","https://openalex.org/W1972219357","https://openalex.org/W1980963773","https://openalex.org/W1982589914","https://openalex.org/W2015228526","https://openalex.org/W2015482762","https://openalex.org/W2016260972","https://openalex.org/W2031618682","https://openalex.org/W2041145453","https://openalex.org/W2041315714","https://openalex.org/W2046374131","https://openalex.org/W2049612171","https://openalex.org/W2058480442","https://openalex.org/W2063131953","https://openalex.org/W2067391933","https://openalex.org/W2070189799","https://openalex.org/W2074019256","https://openalex.org/W2079939632","https://openalex.org/W2083527550","https://openalex.org/W2086318968","https://openalex.org/W2086509453","https://openalex.org/W2091057842","https://openalex.org/W2100816704","https://openalex.org/W2139810635","https://openalex.org/W2144166892","https://openalex.org/W2167590372","https://openalex.org/W2266270368","https://openalex.org/W2522989179","https://openalex.org/W2584279031","https://openalex.org/W2905830261","https://openalex.org/W2922797677"],"related_works":["https://openalex.org/W1980963773","https://openalex.org/W2083527550","https://openalex.org/W2614301244","https://openalex.org/W2314759689","https://openalex.org/W4210697955","https://openalex.org/W2112271244","https://openalex.org/W2332115988","https://openalex.org/W2010498394","https://openalex.org/W2015482762","https://openalex.org/W4405885674"],"abstract_inverted_index":{"Maya":[0,49],"Blue":[1,50],"is":[2,69,140,173,215,223],"an":[3],"artificial":[4],"pigment":[5,16,64,92],"used":[6],"in":[7,129,224],"Pre-Columbian":[8],"America,":[9],"renowned":[10],"for":[11,143],"its":[12,43],"chemical":[13],"stability.":[14],"The":[15,91,111],"can":[17],"be":[18],"considered":[19],"a":[20,27,126],"precursor":[21],"of":[22,109,183,209,242,256],"modern":[23],"inclusion":[24],"compounds":[25],"as":[26,156,178],"hosting":[28],"microporous":[29],"clay":[30],"(palygorskite":[31],"or":[32],"sepiolite)":[33],"shelters":[34],"the":[35,54,63,70,97,106,121,135,148,152,157,170,192,198,204,210,238,254,257,260],"guest":[36],"indigo":[37,57,87,117,153,171,190,220,231,251],"dye":[38,205],"(<=":[39,160],"2":[40],"wt%)":[41,89],"within":[42,120],"micro-channels.":[44],"While":[45],"most":[46],"papers":[47],"on":[48,53,80,101],"are":[51],"focused":[52],"interaction":[55],"between":[56,147],"and":[58,84,105,151,191,240],"palygorskite,":[59],"this":[60],"study":[61],"describes":[62],"structural":[65,136,167],"features":[66],"when":[67],"sepiolite":[68,83,85,149],"host":[71],"structure.":[72],"Synchrotron":[73],"X-ray":[74],"powder":[75],"diffraction":[76],"patterns":[77],"were":[78],"collected":[79],"both":[81,102],"pristine":[82],"+":[86],"(2":[88],"pigment.":[90],"structure":[93,108],"was":[94],"investigated":[95],"with":[96,227],"Rietveld":[98],"method,":[99],"basing":[100],"molecular":[103],"mechanics":[104],"refined":[107,200],"sepiolite.":[110],"evidence":[112,142],"obtained":[113],"shows":[114],"that:":[115],"(i)":[116],"molecules,":[118],"encapsulated":[119],"micro-tunnels,":[122],"stay":[123],"close":[124,225],"to":[125,131,196],"TOT":[127],"strip":[128],"order":[130],"receive":[132],"H-bonds":[133],"from":[134],"OH(2);":[137,168],"(ii)":[138],"there":[139],"no":[141],"direct":[144],"metal-oxygen":[145],"bonds":[146],"Mg":[150],"C=O":[154],"groups,":[155],"applied":[158],"heating":[159],"190":[161],"degrees":[162],"C)":[163],"does":[164],"not":[165],"remove":[166],"(iii)":[169],"molecule":[172,258],"affected":[174],"by":[175,217],"4-fold":[176],"disorder,":[177],"it":[179],"occupies":[180],"only":[181],"one":[182],"four":[184],"partially":[185],"superposed":[186],"equivalent":[187],"sites;":[188],"(iv)":[189],"zeolitic":[193,234],"H(2)O":[194,235],"compete":[195],"occupy":[197],"channels;":[199],"occupancies":[201],"showed":[202],"that":[203],"fills":[206],"27":[207],"vol%":[208,214],"channels":[211],"whereas":[212],"73":[213],"occupied":[216],"H(2)O.":[218],"Calculated":[219],"weight":[221],"%(1.9)":[222],"agreement":[226],"experimental":[228],"data;":[229],"(v)":[230],"encapsulation":[232],"modifies":[233],"sites,":[236],"increasing":[237],"number":[239],"strength":[241],"mutual":[243],"hydrogen":[244],"bonds;":[245],"(vi)":[246],"difference-Fourier":[247],"maps":[248],"computed":[249],"removing":[250],"contribution":[252],"confirmed":[253],"position":[255],"inside":[259],"channels.":[261]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":3}],"updated_date":"2026-10-21T09:56:26.102985","created_date":"2016-06-24T00:00:00"}
