# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:31:04+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 43 3 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1007066","8.193","0.003","8.193","0.003","8.193","0.003","90","","90","","90","","550","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trimanganese(IV) dilithium zinc oxide","","- Li2 Mn3 O8 Zn -","- Li2 Mn3 O8 Zn -","- Li8 Mn12 O32 Zn4 -","4","0.166667","","Joubert, J C; Durif, A","Etude de deux types d'ordre dans le spinelle Mn~3~ Li~2~ Zn O~8~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1964","258","","4482","4485","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007069","8.19","0.002","8.19","0.002","8.19","0.002","90","","90","","90","","549.4","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium zinc dilithium oxide","","- Ge3 Li2 O8 Zn -","- Ge3 Li2 O8 Zn -","- Ge12 Li8 O32 Zn4 -","4","0.166667","","Durif, A; Joubert, J C","Etude de deux germanates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","2471","2473","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007070","8.204","0.002","8.204","0.002","8.204","0.002","90","","90","","90","","552.2","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium cobalt dilithium oxide","","- Co Ge3 Li2 O8 -","- Co Ge3 Li2 O8 -","- Co4 Ge12 Li8 O32 -","4","0.166667","","Durif, A; Joubert, J C","Etude de deux germanates spinelles.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1962","255","","2471","2473","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007185","8.203","","8.203","","8.203","","90","","90","","90","","552","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Lithium pentagallium oxide","","- Ga5 Li O8 -","- Ga5 Li O8 -","- Ga20 Li4 O32 -","4","0.166667","","Joubert, J; Brunel, M; Waintal, A; Durif, A","Etude cristallographique du gallate de lithium et de sa solution solide avec l`aluminate","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","256","","5324","5326","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007256","8.213","0.002","8.213","0.002","8.213","0.002","90","","90","","90","","554","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Trigermanium dizinc oxide","","- Ge3 O8 Zn2 -","- Ge3 O8 Zn2 -","- Ge12 O32 Zn8 -","4","0.166667","","Joubert, J C; Durif, A","Preparation de spinelles lacunaires par reaction d'echange a l'etat solide.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1963","256","","4403","4405","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509080","10.4263","","10.4263","","10.4263","","90","","90","","90","","1133.42","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Lithium silver hafnium sulfide (5/0.25/3/8)","","- Ag0.25 Hf3 Li5 S8 -","- Ag0.25 Hf3 Li4.999 S8 -","- Ag Hf12 Li19.996 S32 -","4","0.166667","","Ishii, M.; Wada, H.; Sakamaki, K.","Electrochemical and structural characterization of silver hafnium sulfide cathodes","Solid State Ionics","2000","136","","469","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509875","10.9051","","10.9051","","10.9051","","90","","90","","90","","1296.85","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- Ag4 Hf3 S8 -","- Ag4.0004 Hf3 S8 -","- Ag16.0016 Hf12 S32 -","4","0.166667","","Amiel, O.; Wada, H.","Crystal structure and conductivity of the new superionic conductor Ag4 Hf3 S8","Journal of Solid State Chemistry","1995","115","","112","119","10.1006/jssc.1995.1109","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509877","11.19","","11.19","","11.19","","90","","90","","90","","1401.17","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Rb Ag4 I5","","- Ag4 I5 Rb -","- Ag3.996 I5 Rb -","- Ag15.984 I20 Rb4 -","4","0.166667","","Greene, P.D.; Bradley, J.N.","Relationship of Structure and Ionic Mobility in Solid M Ag4 I5","Transactions of the Faraday Society","1967","63","","2516","2521","10.1039/tf9676302516","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509887","8.95996","","8.95996","","8.95996","","90","","90","","90","","719.314","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Ag4.00 Mn3 O8","","- Ag4 Mn3 O8 -","- Ag4.0002 Mn3 O8 -","- Ag16.0008 Mn12 O32 -","4","0.166667","","Jansen, M.; Ahlert, S.; Dinnebier, R.","The crystal structures of the high temperature phases of Ag4 Mn3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","90","98","10.1002/zaac.200400421","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509891","10.9427","","10.9427","","10.9427","","90","","90","","90","","1310.31","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Ag4.021 Zr3 S8","","- Ag4.021 S8 Zr3 -","- Ag4.0214 S8 Zr3 -","- Ag16.0856 S32 Zr12 -","4","0.166667","","Amiel, O.; Wada, H.; Frankel, D.C.","Crystal structure and conductivity of the new superionic conductors Ag4 Zr3 S8 and Ag3.8 Sn3 S8","Journal of Solid State Chemistry","1995","116","","409","421","10.1006/jssc.1995.1234","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511224","6.7534","","6.7534","","6.7534","","90","","90","","90","","308.012","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li2 Pd3 B","","- B Li2 Pd3 -","- B Li2 Pd3 -","- B4 Li8 Pd12 -","4","0.166667","","Eibenstein, U.; Jung, W.","Li2 Pd3 B and Li2 Pt3 B; ternary lithium borides of palladium and platinum with boron in octahedral coordination","Journal of Solid State Chemistry","1997","133","","21","24","10.1006/jssc.1997.7310","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511225","6.7552","","6.7552","","6.7552","","90","","90","","90","","308.258","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li2 Pt3 B","","- B Li2 Pt3 -","- B Li2 Pt3 -","- B4 Li8 Pt12 -","4","0.166667","","Jung, W.; Eibenstein, U.","Li2 Pd3 B and Li2 Pt3 B; ternary lithium borides of palladium and platinum with boron in octahedral coordination","Journal of Solid State Chemistry","1997","133","","21","24","10.1006/jssc.1997.7310","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514018","8.2164","","8.2164","","8.2164","","90","","90","","90","","554.683","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Lithium Iron(III) Manganese Oxide (1.09/1.96/4)","","- Li1.09 Mn1.96 O4 -","- Li1.09 Mn1.91 O4 -","- Li8.72 Mn15.28 O32 -","8","0.333333","","Woodley, S. M.; Catlow, C. R. A.; Piszora, P.; Stempin, K.; Wolska, E.","Computer modeling study of the lithium ion distribution in quaternary Li- Mn - Fe - O spinels","Journal of Solid State Chemistry","2000","153","","310","316","10.1006/jssc.2000.8770","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1521402","14.7073","","14.7073","","14.7073","","90","","90","","90","","3181.26","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- Ba6 Ge23.32 Sn1.68 -","- Ba6 Ge23.32 Sn1.68 -","- Ba24 Ge93.28 Sn6.72 -","4","0.166667","","Kim, S.-J.; Hu, S.-Q.; Corbett, J.D.; Hogan, T.; Uher, C.; Huang, B.-Q.; Kanatzidis, M.G.","Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure","Journal of Solid State Chemistry","2000","153","","321","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521403","14.7409","","14.7409","","14.7409","","90","","90","","90","","3203.11","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- Ba6 Ge21.94 In3.06 -","- Ba6 Ge21.942 In3.058 -","- Ba24 Ge87.768 In12.232 -","4","0.166667","","Kim, S.-J.; Hu, S.-Q.; Uher, C.; Hogan, T.; Huang, B.-Q.; Corbett, J.D.; Kanatzidis, M.G.","Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure","Journal of Solid State Chemistry","2000","153","","321","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523595","7.908","","7.908","","7.908","","90","","90","","90","","494.538","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li Al5 O8","","- Al5 Li O8 -","- Al5 Li0.996 O8 -","- Al20 Li3.984 O32 -","4","0.166667","","Famery, R.; Herpin, P.; Queyroux, F.; Gilles, J.C.","Etude structurale de la forme ordonnee de Li Al5 O8","Journal of Solid State Chemistry","1979","30","","257","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528326","8.4048","","8.4048","","8.4048","","90","","90","","90","","593.721","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li Fe0.5 Ti1.5 O4","","- Fe0.5 Li O4 Ti1.5 -","- Fe0.5 Li O4 Ti1.5 -","- Fe4 Li8 O32 Ti12 -","8","0.333333","","Avdeev, G.; Petrov, K.; Mitov, I.","X-ray diffraction and Moessbauer spectroscopy studies of Li Fe0.5 Ti1.5 O4 - a new primitive cubic ordered spinel","Solid State Sciences","2007","9","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528613","8.377","","8.377","","8.377","","90","","90","","90","","587.849","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Ti3 Co Li2 O8","","- Co Li2 O8 Ti3 -","- Co Li2 O8 Ti3 -","- Co4 Li8 O32 Ti12 -","4","0.166667","","Joubert, J.C.; Durif-Varambon, A.","Etude cristallographique de trois titanates du type spinelle","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1963","86","","92","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531078","8.341","","8.341","","8.341","","90","","90","","90","","580.302","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.54 Fe0.45) (Li0.26 Fe2.4 Mg0.34) (Fe1.94 Mg0.06) O8","","- Fe4.79 Li0.8 Mg0.4 O8 -","- Fe4.79 Li0.8001 Mg0.3999 O8 -","- Fe19.16 Li3.2004 Mg1.5996 O32 -","4","0.166667","","Antic, B.; Kacarevic-Popovic, Z.; Rodic, D.; Nikolic, A.S.; Karanovic, Lj.","The change of crystal symmetry and cation ordering in Li - Mg ferrites","Journal of Alloys Compd.","2002","336","","286","291","","","","","","","","","","","","","","","","","","","","","","has coordinates","156401","2020-10-21","18:00:00",""
"1531079","8.3343","","8.3343","","8.3343","","90","","90","","90","","578.905","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.7 Fe0.3) (Li0.24 Fe2.66 Mg0.06) (Fe1.88 Mg0.14) O8","","- Fe4.84 Li0.94 Mg0.2 O8 -","- Fe4.841 Li0.94 Mg0.2 O8 -","- Fe19.364 Li3.76 Mg0.8 O32 -","4","0.166667","","Antic, B.; Nikolic, A.S.; Rodic, D.; Kacarevic-Popovic, Z.; Karanovic, Lj.","The change of crystal symmetry and cation ordering in Li - Mg ferrites","Journal of Alloys Compd.","2002","336","","286","291","","","","","","","","","","","","","","","","","","","","","","has coordinates","156402","2020-10-21","18:00:00",""
"1531998","8.1685","","8.1685","","8.1685","","90","","90","","90","","545.038","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li Ni0.478 Mn1.476 O4","","- Li Mn1.476 Ni0.478 O4 -","- Li Mn1.476 Ni0.478 O4 -","- Li8 Mn11.808 Ni3.824 O32 -","8","0.333333","","Ooms, F.G.B.; Kelder, E.M.; Wagemaker, M.; Mulder, F.M.; van Well, A.A.; Schoonman, J.","Structure determination of high-voltage Li Mgx Ni0.5-x Mn1.5 O4 spinels for Li-ion batteries","Appl. Phys. A","2002","74","","S1089","S1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532000","8.1703","","8.1703","","8.1703","","90","","90","","90","","545.399","","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Li Mg0.041 Ni0.395 Mn1.544 O4","","- Li Mg0.041 Mn1.544 Ni0.395 O4 -","- Li Mg0.041 Mn1.5435 Ni0.395 O4 -","- Li8 Mg0.328 Mn12.348 Ni3.16 O32 -","8","0.333333","","Ooms, F.G.B.; Kelder, E.M.; van Well, A.A.; Wagemaker, M.; Mulder, F.M.; Schoonman, J.","Structure determination of high-voltage Li Mgx Ni0.5-x Mn1.5 O4 spinels for Li-ion batteries","Appl. Phys. A","2002","74","","S1089","S1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532002","8.1733","","8.1733","","8.1733","","90","","90","","90","","546","","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Li Mg0.096 Ni0.36 Mn1.34 O4","","- Li Mg0.096 Mn1.34 Ni0.36 O4 -","- Li Mg0.096 Mn1.337 Ni0.3645 O4 -","- Li8 Mg0.768 Mn10.696 Ni2.916 O32 -","8","0.333333","","Ooms, F.G.B.; Mulder, F.M.; Wagemaker, M.; van Well, A.A.; Schoonman, J.; Kelder, E.M.","Structure determination of high-voltage Li Mgx Ni0.5-x Mn1.5 O4 spinels for Li-ion batteries","Appl. Phys. A","2002","74","","S1089","S1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532826","8.3738","","8.3738","","8.3738","","90","","90","","90","","587.175","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.96 Zn1.04) Li Ti3 O8","","- Li1.96 O8 Ti3 Zn1.04 -","- Li1.96 O8 Ti3 Zn1.04 -","- Li7.84 O32 Ti12 Zn4.16 -","4","0.166667","","Camara, M.S.C.; Gama, L.; Lisboa-Filho, P.N.; Longo, E.; Cabrelon, M.D.; Ortiz, W.A.; Paiva-Santos, C.O.; Leite, E.R.","Synthesis and characterization of Li2 Zn Ti3 O8 spinel using the modified polymeric precursor method","Materials Chemistry and Physics","2003","82","","68","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","158816","2020-10-21","18:00:00",""
"1532957","8.3882","","8.3882","","8.3882","","90","","90","","90","","590.21","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.743 Co0.247) (Co1.381 Li0.619) (Ti2.67 Co0.343 O8)","","- Co1.971 Li1.362 O8 Ti2.67 -","- Co1.9709 Li1.362 O8 Ti2.6571 -","- Co7.8836 Li5.448 O32 Ti10.6284 -","4","0.166667","","Jovic, N.; Antic, B.; Spasojevic-de Bire, A.; Kremenovic, A.; Spasojevic, V.","Cation ordering and order-disorder phase transition in Co-substituted Li4 Ti5 O12 spinels","Physica Status Solidi, Sectio A: Applied Research","2003","198","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","158975","2020-10-21","18:00:00",""
"1532959","8.3747","","8.3747","","8.3747","","90","","90","","90","","587.365","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.945 Ti0.056) (Co0.986 Li1.014) (Ti2.945 Co0.055 O8)","","- Co1.041 Li1.959 O8 Ti3.001 -","- Co1.0409 Li1.959 O8 Ti3.0001 -","- Co4.1636 Li7.836 O32 Ti12.0004 -","4","0.166667","","Jovic, N.; Antic, B.; Kremenovic, A.; Spasojevic-de Bire, A.; Spasojevic, V.","Cation ordering and order-disorder phase transition in Co-substituted Li4 Ti5 O12 spinels","Physica Status Solidi, Sectio A: Applied Research","2003","198","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","158977","2020-10-21","18:00:00",""
"1532960","8.3687","","8.3687","","8.3687","","90","","90","","90","","586.103","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.572 Ti0.428) (Co0.521 Li1.479) (Ti2.752 Li0.248 O8)","","- Co0.521 Li2.299 O8 Ti3.18 -","- Co0.521 Li2.2991 O8 Ti3.1799 -","- Co2.084 Li9.1964 O32 Ti12.7196 -","4","0.166667","","Jovic, N.; Antic, B.; Kremenovic, A.; Spasojevic-de Bire, A.; Spasojevic, V.","Cation ordering and order-disorder phase transition in Co-substituted Li4 Ti5 O12 spinels","Physica Status Solidi, Sectio A: Applied Research","2003","198","","18","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","158979","2020-10-21","18:00:00",""
"1533788","8.1667","","8.1667","","8.1667","","90","","90","","90","","544.678","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li ((Mn1.5 (Ni0.44 Li0.06)) O4)","","- Li1.06 Mn1.5 Ni0.44 O4 -","- Li1.065 Mn1.5 Ni0.435 O4 -","- Li8.52 Mn12 Ni3.48 O32 -","8","0.333333","","Strobel, P.; Ibarra-Palos, A.; Anne, M.; Poinsignon, C.; Crisci, A.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","160066","2020-10-21","18:00:00",""
"1533791","8.1888","","8.1888","","8.1888","","90","","90","","90","","549.112","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.9 Cu0.1) ((Mn1.5 (Cu0.23 Li0.27)) O4)","","- Cu0.33 Li1.17 Mn1.5 O4 -","- Cu0.332 Li1.168 Mn1.5 O4 -","- Cu2.656 Li9.344 Mn12 O32 -","8","0.333333","","Strobel, P.; Ibarra-Palos, A.; Crisci, A.; Poinsignon, C.; Anne, M.","Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration spectroscopy studies","Solid State Sciences","2003","5","","1009","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","160069","2020-10-21","18:00:00",""
"1536066","13.474","","13.474","","13.474","","90","","90","","90","","2446.19","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","K3 Nd2 (N O3)9","","- K3 N9 Nd2 O27 -","- K3 N9 Nd2 O27 -","- K12 N36 Nd8 O108 -","4","0.166667","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.; Verin, I.A.","Low-temperature X-ray investigation of potassium-neodymium nitratesK3(Nd2(NO3)9) and K2(Nd(NO3)5(H2O)2).","Kristallografiya","1992","37","","882","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","163649","2020-10-21","18:00:00",""
"1536083","6.535","","6.535","","6.535","","90","","90","","90","","279.085","","","","","","","","","","","","","2","P 43 3 2","P 4acd 2ab 3","212","","Sr Si2","","- Si2 Sr -","- Si2 Sr -","- Si8 Sr4 -","4","0.166667","","Evers, J.","Transformation of three-dimensional three-connected silicon nets in Sr Si2","Journal of Solid State Chemistry","1978","24","","199","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541958","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li Fe5 O8","","- Fe5 Li O8 -","- Fe5 Li O8 -","- Fe20 Li4 O32 -","4","0.166667","","Braun, P.B.","A superstructure in spinels","Nature (London)","1952","170","","1123","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544335","8.3195","0.0001","8.3195","0.0001","8.3195","0.0001","90","","90","","90","","575.827","0.012","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","LiFe5O8 ordered spinel","","","- Fe5 Li O8 -","- Fe5 Li O8 -","- Fe20 Li4 O32 -","4","0.166667","","Marin, S.J.; O'Keeffe, M.; Partin, D.E.","Structures and crystal chemistry of ordered spinels: LiFe5O8, LiZnNbO4, and Zn2TiO4","Journal of Solid State Chemistry","1994","113","","413","419","","","","","","","","","","","","","","","","","","","","","","has coordinates","187472","2020-10-21","18:00:00",""
"1545068","8.181","","8.181","","8.181","","90","","90","","90","","547.544","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Li2NiGe3O8","","","- Ge3 Li2 Ni O8 -","- Ge3 Li2 Ni O8 -","- Ge12 Li8 Ni4 O32 -","4","0.166667","","Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.","Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system","Journal of the Ceramic Society of Japan","1988","96","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","190682","2020-10-21","18:00:00",""
"1545069","8.193","","8.193","","8.193","","90","","90","","90","","549.957","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Li2ZnGe3O8","","","- Ge3 Li2 O8 Zn -","- Ge3 Li2 O8 Zn -","- Ge12 Li8 O32 Zn4 -","4","0.166667","","Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.","Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system","Journal of the Ceramic Society of Japan","1988","96","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","190683","2020-10-21","18:00:00",""
"1545070","8.204","","8.204","","8.204","","90","","90","","90","","552.175","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Li2CoGe3O8","","","- Co Ge3 Li2 O8 -","- Co Ge3 Li2 O8 -","- Co4 Ge12 Li8 O32 -","4","0.166667","","Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.","Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system","Journal of the Ceramic Society of Japan","1988","96","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","190684","2020-10-21","18:00:00",""
"1546015","15.4248","0.0007","15.4248","0.0007","15.4248","0.0007","90","","90","","90","","3669.9","0.3","103","2","103","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 B0.5 Br5.5 F8 -","- C36 H24 B0.537 Br5.463 F8.144 -","- C144 H96 B2.148 Br21.852 F32.576 -","4","0.166667","","Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe","Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts","IUCrJ","2017","4","4","","","10.1107/S2052252517004262","","","0.71073","MoKα","","0.0434","0.0297","","","0.0516","0.054","","","","","","1.107","","","","has coordinates","196623","2020-10-21","18:00:00",""
"1557462","8.2023","0.0006","8.2023","0.0006","8.2023","0.0006","90","","90","","90","","551.83","0.07","","","293","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","LiGaO8","","","- Ga5 Li O8 -","- Ga1.998 Li0.332 O6.666 -","- Ga7.992 Li1.328 O26.664 -","4","0.166667","","Ahman, Johan; Svensson, Goran; Albertsson, Jorgen","Structure of LiGa5O8","Acta Chemica Scandinavica","1996","50","","391","394","10.3891/acta.chem.scand.50-0391","","x-ray","0.71069","MoKα","","","0.036","","","0.044","","","","","","","1.44","","","","has coordinates","248761","2020-10-21","18:00:00",""
"1560614","8.35013","0.00003","8.35013","0.00003","8.35013","0.00003","90","","90","","90","","582.21","0.004","298","","298","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe0.801 Li2.403 O8 Ti2.799 -","- Fe3.204 Li9.612 O32 Ti11.196 -","4","0.166667","","Mukai, Kazuhiko; Kato, Yuichi; Nakano, Hideyuki","Determination of cation distribution in the Fe[Li 1/2 Fe 3/2 ]O 4 −LiFeTiO 4 −Li[Li 1/3 Ti 5/3 ]O 4 system: Mixed nature of solid solution and superlattice","Journal of Solid State Chemistry","2017","247","","67","76","10.1016/j.jssc.2016.12.025","powder diffraction","","0.60001","synchrotron","","0.06246","","","","","","0.06646","0.0499","1.2049","","","","","","","has coordinates","262193","2021-02-24","10:21:04",""
"1562753","16.8763","0.0013","16.8763","0.0013","16.8763","0.0013","90","","90","","90","","4806.5","0.6","295.01","","295.01","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C65 I8 Sn2 -","- C64.974 I8 Sn2 -","- C259.896 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.1241","0.0794","","","0.1478","0.1714","","","","","","1.188","","","","has coordinates,has disorder","265395","2021-05-20","23:41:51",""
"1562754","16.739","0.0013","16.739","0.0013","16.739","0.0013","90","","90","","90","","4690.2","0.6","295","","295","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C62.5 I8 Sn2 -","- C62.514 I8 Sn2 -","- C250.056 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.1277","0.0759","","","0.1507","0.1725","","","","","","1.163","","","","has coordinates,has disorder","265396","2021-05-20","23:42:35",""
"1562755","17.0312","0.0003","17.0312","0.0003","17.0312","0.0003","90","","90","","90","","4940.1","0.15","295","","295","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C67.5 I8 Sn2 -","- C67.512 I8 Sn2 -","- C270.048 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.0823","0.058","","","0.1532","0.1761","","","","","","1.034","","","","has coordinates,has disorder","265397","2021-05-20","23:43:20",""
"2107402","6.515","","6.515","","6.515","","90","","90","","90","","276.531","","","","","","","","","","","","","2","P 43 3 2","P 4acd 2ab 3","212","","Sr Si2","","- Si2 Sr -","- Si2 Sr -","- Si8 Sr4 -","4","0.166667","","Pringle, G.E.","The structure of Sr Si2: a crystal of class O (432)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2326","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300617","8.3364","0.0015","8.3364","0.0015","8.3364","0.0015","90","","90","","90","","579.34","0.18","300","","300","","","","","","","","","2","P 43 3 2","P 4acd 2ab 3","212","","","","- Fe2 O3 -","- Fe2.116 O3.19203 -","- Fe21.16 O31.9203 -","10","0.416667","KK5153","Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","1","414","420","10.1107/S1600576713032895","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.8001","","","","","","","","has coordinates","181828","2020-10-21","18:00:00",""
"2312024","13.8058","0.0004","13.8058","0.0004","13.8058","0.0004","90","","90","","90","","2631.39","0.13","297","2","297","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Sodium pentarubidium bis[tris(oxalato)ferrate(III)]","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0536","0.0345","","","0.0582","0.0641","","","","","","1.003","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"4000789","8.27528","0.00015","8.27528","","8.27528","","90","","90","","90","","566.693","0.01","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2.03 Ni O8 -","- Ge3 Li2.03043 Ni O8 -","- Ge12 Li8.12172 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.07198","","1.49","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000790","8.19851","0.00011","8.19851","","8.19851","","90","","90","","90","","551.067","0.007","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2 Ni O8 -","- Ge3 Li2 Ni O8 -","- Ge12 Li8 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.05515","","1.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000791","8.28823","0.00017","8.28823","","8.28823","","90","","90","","90","","569.358","0.012","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li1.99 O8 Zn -","- Ge3 Li1.99416 O8 Zn -","- Ge12 Li7.97664 O32 Zn4 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.11522","","1.43","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002456","8.18722","","8.18722","","8.18722","","90","","90","","90","","548.794","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li2 (Mg0.959 Mn0.041) (Mn0.986 Mg0.014)3 O8","","- Li2 Mg1.001 Mn2.999 O8 -","- Li2 Mg1.001 Mn2.999 O8 -","- Li8 Mg4.004 Mn11.996 O32 -","4","0.166667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","156484","2020-10-21","18:00:00",""
"4002457","8.28179","","8.28179","","8.28179","","90","","90","","90","","568.032","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Cu2 (Mg0.953 Mn0.047) (Mn0.984 Mg0.016)3 O8","","- Cu2 Mg1.001 Mn2.999 O8 -","- Cu2 Mg1.001 Mn2.999 O8 -","- Cu8 Mg4.004 Mn11.996 O32 -","4","0.166667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","156486","2020-10-21","18:00:00",""
"4030603","13.813","0.001","13.813","0.001","13.813","0.001","90","","90","","90","","2635.5","0.3","","","293","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- N9 O27 Pr2 Rb3 -","- N9 O27 Pr2 Rb3 -","- N36 O108 Pr8 Rb12 -","4","0.166667","","Manek, E.; Meyer, G.","Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and Rb2[M(NO3)5] (M = Eu-Lu, Y)","European Journal of Solid State and Inorganic Chemistry","1993","30","","883","894","","","x-ray","0.71073","MoKα","","","0.043","","","0.034","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4031549","8.3725","","8.3725","","8.3725","","90","","90","","90","","586.902","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.68 Fe0.32) (Li0.46 Fe0.04) (Fe0.22 Ti1.28) O4","","- Fe0.58 Li1.14 O4 Ti1.28 -","- Fe0.5805 Li1.14 O4 Ti1.2795 -","- Fe4.644 Li9.12 O32 Ti10.236 -","8","0.333333","","Arillo, M.A.; Martinez, J.L.; Lopez, M.L.; Pico, C.; Veiga, M.L.; Campo, J.; Santrich-Badal, A.","Order - disorder transitions and magnetic behaviour in lithium ferrites Li0.5+0.5x Fe2.5-1.5x Tix O4 (x=1.28 and 1.50)","European Journal of Inorganic Chemistry","2003","2003","","2397","2405","","","","","","","","","","","","","","","","","","","","","","has coordinates","159740","2020-10-21","18:00:00",""
"4031550","8.3549","","8.3549","","8.3549","","90","","90","","90","","583.208","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","(Li0.77 Fe0.23) (Li0.48 Fe0.02) Ti1.5 O4","","- Fe0.25 Li1.25 O4 Ti1.5 -","- Fe0.25 Li1.25 O4 Ti1.5 -","- Fe2 Li10 O32 Ti12 -","8","0.333333","","Arillo, M.A.; Martinez, J.L.; Lopez, M.L.; Pico, C.; Campo, J.; Veiga, M.L.; Santrich-Badal, A.","Order - disorder transitions and magnetic behaviour in lithium ferrites Li0.5+0.5x Fe2.5-1.5x Tix O4 (x=1.28 and 1.50)","European Journal of Inorganic Chemistry","2003","2003","","2397","2405","","","","","","","","","","","","","","","","","","","","","","has coordinates","159754","2020-10-21","18:00:00",""
"4113070","8.1571","0.00013","8.1571","","8.1571","","90","","90","","90","","542.759","0.009","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- Li0.25 Mg0.03 Mn0.39 Ni0.09 O -","- Li0.246248 Mg0.025 Mn0.385456 Ni0.0895438 O -","- Li7.87992 Mg0.8 Mn12.3346 Ni2.8654 O32 -","32","1.33333","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4128771","20.262","0.002","20.262","0.002","20.262","0.002","90","","90","","90","","8318.5","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H16 Cu N10 O4 -","- C16 H16 Cu N10 O4 -","- C192 H192 Cu12 N120 O48 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0444","0.0333","","","0.0812","0.0854","","","","","","1.076","","","","has coordinates","221835","2020-10-21","18:00:00",""
"4128772","20.12","0.004","20.12","0.004","20.12","0.004","90","","90","","90","","8145","3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C8 H15 Cu0.5 N5 O5.5 -","- C8 H14.9997 Cu0.5 N5 O5.49985 -","- C192 H359.993 Cu12 N120 O131.996 -","24","1","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0323","0.0307","","","0.0829","0.0838","","","","","","1.105","","","","has coordinates,has disorder","221836","2020-10-21","18:00:00",""
"4128773","20.172","0.002","20.172","0.002","20.172","0.002","90","","90","","90","","8208.2","1.4","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H25.33 Cu N10 O8.67 -","- C16 H25.3332 Cu N10 O8.6666 -","- C192 H303.998 Cu12 N120 O103.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0642","0.0456","","","0.1189","0.1263","","","","","","1.054","","","","has coordinates,has disorder","221837","2020-10-21","18:00:00",""
"4128774","20.1133","0.0007","20.1133","0.0007","20.1133","0.0007","90","","90","","90","","8136.7","0.5","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C16 H28.67 Cu N10 O9.67 -","- C16 H28.666 Cu N10 O9.6666 -","- C192 H343.992 Cu12 N120 O115.999 -","12","0.5","","Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón","Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.","Journal of the American Chemical Society","2019","141","36","14306","14316","10.1021/jacs.9b06500","","","0.71073","MoKα","","0.0374","0.0332","","","0.0995","0.1018","","","","","","1.14","","","","has coordinates,has disorder","221838","2020-10-21","18:00:00",""
"4308024","25.6349","0.0002","25.6349","0.0002","25.6349","0.0002","90","","90","","90","","16845.9","0.2","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","MOF2a","","","- C48 H28 N6 O14 Zn3 -","- C48 H24 N6 O14 Zn3 -","- C192 H96 N24 O56 Zn12 -","4","0.166667","","Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou","Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity","Inorganic Chemistry","2007","46","","2725","2734","10.1021/ic0624773","","","0.71073","MoKα","","0.0508","0.028","","","0.0492","0.0518","","","","","","0.787","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308026","26.001","0.003","26.001","0.003","26.001","0.003","90","","90","","90","","17578","4","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","MOF3","","","- C48 H28 Cd3 N6 O14 -","- C48 H24 Cd3 N6 O14 -","- C192 H96 Cd12 N24 O56 -","4","0.166667","","Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou","Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity","Inorganic Chemistry","2007","46","","2725","2734","10.1021/ic0624773","","x-ray","0.71073","MoKα","","0.1929","0.1046","","","0.2709","0.3575","","","","","","1.112","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4317426","17.35","0.003","17.35","0.003","17.35","0.003","90","","90","","90","","5222.7","1.6","298","2","298","2","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C39 H36 Ag2 Cl2 O8 S6 -","- C39 H30 Ag2 Cl2 O8 S6 -","- C156 H120 Ag8 Cl8 O32 S24 -","4","0.166667","","Xian-He Bu; Wei Chen; Miao Du; Kumar Biradha; Wen-Zhen Wang; Ruo-Hua Zhang","Chiral Noninterpenetrated (10,3)-a Net in the Crystal Structure of Ag(I) and Bisthioether","Inorganic Chemistry","2002","41","","437","439","10.1021/ic0107734","","","0.71073","MoKα","","0.0805","0.0473","","","0.1132","0.1347","","","","","","1.001","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4327693","17.2597","0.0005","17.2597","0.0005","17.2597","0.0005","90","","90","","90","","5141.6","0.3","223","2","223","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","catena-(hexakis(mu!2$-Cyano)-tri-t-butyl-cobalt(iii)-tin(iv))","","- C42 H81 Co N6 Sn3 -","- C42 Co N6 Sn3 -","- C168 Co4 N24 Sn12 -","4","0.166667","","Tianyan Niu; Jian Lu; Xiqu Wang; James D. Korp; Allan J. Jacobson","Syntheses and Structural Characterizations of Two Three-Dimensional Polymers: [{(n-C4H9)3Sn}3M(CN)6] (M = Fe, Co)","Inorganic Chemistry","1998","37","","5324","5328","10.1021/ic980536+","","","0.71073","MoKα","","0.033","0.0286","","0.0934","0.0866","","","","1.199","1.21","1.21","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4340224","29.497","0.002","29.497","0.002","29.497","0.002","90","","90","","90","","25665","3","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","Zn3 (HTB)2 (H2O)2","","","- C54 H28 N14 O14 Zn3 -","- C54 H24 N14 O14 Zn3 -","- C216 H96 N56 O56 Zn12 -","4","0.166667","","Ke, Yanxiong; Collins, David J.; Sun, Daofeng; Zhou, Hong-Cai","(10,3)-a Noninterpenetrated network built from a Piedfort ligand pair.","Inorganic chemistry","2006","45","5","1897","1899","10.1021/ic051900p","","","0.71073","MoKα","","0.0625","0.0329","","","0.0641","0.0694","","","","","","0.844","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4343133","8.4077","0.0006","8.4077","0.0006","8.4077","0.0006","90","","90","","90","","594.34","0.07","293","","293","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Lithium_manganese_titanate_slowcooled_950C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn1.003 O4 Ti0.9995 -","- Li8 Mn8.024 O32 Ti7.996 -","8","0.333333","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0952","0.0952","","0.1095","0.1095","","","","2.72","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343135","8.4096","","8.4096","","8.4096","","90","","90","","90","","594.738","","30","","30","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Lithium_manganese_titanate_slowcooled_900C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn1.0026 O4 Ti0.9992 -","- Li8 Mn8.0208 O32 Ti7.9936 -","8","0.333333","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","x-ray","0.82657","synchrotron_X-ray","","0.0905","0.0905","","0.133","0.133","","","","7.69","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343706","13.52","","13.52","","13.52","","90","","90","","90","","2471.33","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","K3 Pr2 (N O3)9","","- K3 N9 O27 Pr2 -","- K3 N9 O27 Pr2 -","- K12 N36 O108 Pr8 -","4","0.166667","","Carnall, W.T.; Siegel, S.; Ferraro, J.R.; Tani, B.S.; Gebert, E.","A new series of anhydrous double nitrate salts of the lanthanides. Structural and spectral characterization","Inorganic Chemistry","1973","12","","560","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","146787","2020-10-21","18:00:00",""
"4512659","15.0798","0.0006","15.0798","0.0006","15.0798","0.0006","90","","90","","90","","3429.2","0.2","296","2","296","","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 B2 Cu2 F8 N12 -","- C30 H30 B2 Cu2 F8 N12 -","- C120 H120 B8 Cu8 F32 N48 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.049","0.0386","","","0.0717","0.0767","","","","","","1.057","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512661","14.9","0.0005","14.9","0.0005","14.9","0.0005","90","","90","","90","","3307.95","0.19","296","2","296.15","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cu2 N14 O6 -","- C30 H30 Cu2 N13.98 O5.98 -","- C120 H120 Cu8 N55.92 O23.92 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0774","","","","","","1.056","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512665","15.1782","0.0003","15.1782","0.0003","15.1782","0.0003","90","","90","","90","","3496.72","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cl2 Cu2 N12 O8 -","- C30 H30 Cl2 Cu2 N12 O8 -","- C120 H120 Cl8 Cu8 N48 O32 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0387","0.0348","","","0.0903","0.0928","","","","","","1.058","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4515314","32.763","0.0003","32.763","0.0003","32.763","0.0003","90","","90","","90","","35168.3","0.6","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C90 H51 O35 Zr6 -","- C90 H51 O35 Zr6 -","- C720 H408 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0975","0.0639","","","0.1536","0.183","","","","","","0.884","","","","has coordinates","225477","2020-10-21","18:00:00",""
"4515315","32.8463","0.0004","32.8463","0.0004","32.8463","0.0004","90","","90","","90","","35437.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O41 Zr6 -","- C93 H54 O41 Zr6 -","- C744 H432 O328 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0655","0.0508","","","0.1189","0.1262","","","","","","0.997","","","","has coordinates","225478","2020-10-21","18:00:00",""
"4515316","32.8831","0.0002","32.8831","0.0002","32.8831","0.0002","90","","90","","90","","35556.4","0.4","173","10","173","10","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C102 H54 O35 Zr6 -","- C102 H54 O35 Zr6 -","- C816 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","","1.54178","CuKα","","0.0561","0.0439","","","0.1105","0.118","","","","","","0.992","","","","has coordinates,has disorder","225479","2020-10-21","18:00:00",""
"4515317","32.9225","0.0009","32.9225","0.0009","32.9225","0.0009","90","","90","","90","","35684.4","1.7","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C96 H60 O35 Zr6 -","- C96 H60 O35 Zr6 -","- C768 H480 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.1419","0.0855","","","0.1891","0.2257","","","","","","0.893","","","","has coordinates","225480","2020-10-21","18:00:00",""
"4515318","32.67104","0.00013","32.67104","0.00013","32.67104","0.00013","90","","90","","90","","34873","0.2","100","0.1","100","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O35 Zr6 -","- C93 H54 O35 Zr6 -","- C744 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0376","0.0342","","","0.1006","0.103","","","","","","1.091","","","","has coordinates","225481","2020-10-21","18:00:00",""
"6000362","10.9015","","10.9015","","10.9015","","90","","90","","90","","1295.56","","","","","","","","","","","","","3","P 43 3 2","","","","","","- Ag4 Hf3 S8 -","","","","","","Wada, H.; Amiel, O.; Takenouchi, S.","Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change","Solid State Ionics","1998","115","","487","491","10.1016/S0167-2738(98)00314-2","","","","","","","","","","","","","","","","","","","","","","188703","2020-10-21","18:00:00",""
"6000363","10.4327","","10.4327","","10.4327","","90","","90","","90","","1135.51","","","","","","","","","","","","","4","P 43 3 2","","","","","","- Ag2 Hf3 Li5 S8 -","","","","","","Wada, H.; Amiel, O.; Takenouchi, S.","Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change","Solid State Ionics","1998","115","","487","491","10.1016/S0167-2738(98)00314-2","","","","","","","","","","","","","","","","","","","","","","188703","2020-10-21","18:00:00",""
"7005393","10.4506","0.0007","10.4506","0.0007","10.4506","0.0007","90","","90","","90","","1141.36","0.13","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ca12 F8 Nb16 O48 -","- Ca12 F8 Nb16 O48 -","- Ca12 F8 Nb16 O48 -","","","","Françoise Le Berre; Marie-Pierre Crosnier-Lopez; Cyrille Galven; Jean-Louis Fourquet; Christophe Legein; Monique Body; Jean-Yves Buzaré","Ca2+/vacancies and O2?/F? ordering in new oxyfluoride pyrochlores Li2xCa1.5?x?0.5?xM2O6F (M = Nb,Ta) for 0 ?x? 0.5","Dalton Transactions","2007","","23","2457","","10.1039/b701863k","","","","","","","","","","","","","","","","","","","","","has coordinates","203899","2020-10-21","18:00:00",""
"7034022","35.3561","0.0003","35.3561","0.0003","35.3561","0.0003","90","","90","","90","","44197","0.6","123","2","123","2","","","","","","","","7","P 43 3 2","P 4acd 2ab 3","212","","","","- C40 H122 Cl7 Dy6 N8 Na O87 -","- C40 H60 Cl4 Dy6 N8 Na O65 -","- C480 H720 Cl48 Dy72 N96 Na12 O780 -","12","0.5","","Zheng, Xiu-Ying; Zhang, Han; Cao, Ling-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Chirality detection of two enantiomorphic 3D lanthanide coordination polymers by vibrational circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5299","5302","10.1039/c5dt00404g","","","0.71073","MoKα","","0.1197","0.0754","","","0.189","0.2119","","","","","","1.039","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7036966","15.6124","0.0001","15.6124","0.0001","15.6124","0.0001","90","","90","","90","","3805.48","0.04","293","2","293","2","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 Cu Mn2 N6 O13 -","- C36 H24 Cu Mn2 N6 O12.99 -","- C144 H96 Cu4 Mn8 N24 O51.96 -","4","0.166667","","Jurić, Marijana; Pajić, Damir; Žilić, Dijana; Rakvin, Boris; Molčanov, Krešimir; Popović, Jasminka","Magnetic order in a novel 3D oxalate-based coordination polymer {[Cu(bpy)3][Mn2(C2O4)3]·H2O}n.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20626","20635","10.1039/c5dt02933c","","","1.5418","CuKα","","","0.0422","","","","0.1158","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7059842","13.0818","0.0015","13.0818","0.0015","13.0818","0.0015","90","","90","","90","","2238.7","0.4","293","2","293","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C21 H21 Br0.6 I1.4 Sb -","- C21 H21 Br0.6 I1.4 Sb -","- C84 H84 Br2.4 I5.6 Sb4 -","4","0.166667","","Sharutin, Vladimir V.; Sharutina, Olga K.; Novikov, Alexander S.; Adonin, Sergey A.","Substituent-dependent reactivity of triarylantimony(iii) toward I2: isolation of [Ar3SbI]+ salt","New Journal of Chemistry","2020","44","34","14339","14342","10.1039/D0NJ02774J","","x-ray","0.71073","MoKα","","0.0285","0.0259","","","0.0622","0.0647","","","","","","1.164","","","","has coordinates","257881","2020-10-21","18:00:00",""
"7104639","16.7176","0.0002","16.7176","0.0002","16.7176","0.0002","90","","90","","90","","4672.21","0.1","293","2","293","2","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","diaqua tri S-2-methylglutarate di 3-methylglutarate cobalt (ii) pentahydrate","diaqua tri S-2-methylglutarate di 3-methylglutarate cobalt (II) pentahydrate","","- C30 H54 Co5 O27 -","- C30.03 H29.04 Co5 O26.97 -","- C120.12 H116.16 Co20 O107.88 -","4","0.166667","","Livage, Carine; Guillou, Nathalie; Rabu, Pierre; Pattison, Philip; Marrot, Jérôme; Férey, Gérard","Bulk homochirality of a 3-D inorganic framework: ligand control of inorganic network chirality.","Chemical communications (Cambridge, England)","2009","34","30","4551","4553","10.1039/b904622d","","","0.71073","MoKα","","0.122","0.0619","","","0.1486","0.1855","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105698","15.7838","0.0002","15.7838","0.0002","15.7838","0.0002","90","","90","","90","","3932.19","0.09","293","2","293","2","","","","","","","","7","P 43 3 2","P 4acd 2ab 3","212","","","","- C24 H42 Cd2 Cl N12 Na3 O18 -","- C24 H30 Cd2 Cl N12 Na3 O18 -","- C96 H120 Cd8 Cl4 N48 Na12 O72 -","4","0.166667","","Qilong Zhu; Tianlu Sheng; Ruibiao Fu; Chunhong Tan; Shengmin Hu; Xintao Wu","Two luminescent enantiomorphic 3D metal-organic frameworks with 3D homochiral double helices","Chem.Commun.","2010","46","","9001","","10.1039/c0cc02550j","","","0.71073","MoKα","","0.021","0.0209","","","0.055","0.055","","","","","","1.104","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7112752","13.1478","0.0006","13.1478","0.0006","13.1478","0.0006","90","","90","","90","","2272.79","0.18","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C6 H7 B N9 Na -","- C6 H7 B N9 Na -","- C48 H56 B8 N72 Na8 -","8","0.333333","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0248","0.0238","","","0.0654","0.0662","","","","","","1.104","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7116177","29.5955","0.0001","29.5955","0.0001","29.5955","0.0001","90","","90","","90","","25922.5","0.15","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","1-D","","","- C48 H36 Cd3 N10 O18 -","- C48 H36 Cd3 N10 O18 -","- C576 H432 Cd36 N120 O216 -","12","0.5","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Integration of rigid and flexible organic parts for the construction of a homochiral metal-organic framework with high porosity.","Chemical communications (Cambridge, England)","2015","51","13","2565","2568","10.1039/c4cc09821h","","","1.54178","CuKα","","0.0816","0.0557","","","0.1518","0.1663","","","","","","0.982","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7125274","36.9585","0.0019","36.9585","0.0019","36.9585","0.0019","90","","90","","90","","50483","4","230","2","230","2","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","PC3-pseudorotaxane-SQUEEZE","","- C130 H130 N10 -","- C130 H130 N10 -","- C1560 H1560 N120 -","12","0.5","","Qiao, Bo; Liu, Yun; Lee, Semin; Pink, Maren; Flood, Amar H.","A high-yield synthesis and acid-base response of phosphate-templated [3]rotaxanes.","Chemical communications (Cambridge, England)","2016","52","94","13675","13678","10.1039/c6cc08113d","","","0.71073","MoKα","","0.1646","0.1118","","","0.2719","0.295","","","","","","1.587","","","","has coordinates,has disorder","234653","2020-10-21","18:00:00",""
"7211666","21.972","0.005","21.972","0.005","21.972","0.005","90","","90","","90","","10607","4","100","1","100","1","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C11 H26 N1.67 O8 S0.5 -","- C11 H16 N1.66667 O8 S0.5 -","- C264 H384 N40 O192 S12 -","24","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1109","0.0701","","","0.1844","0.2485","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7242177","17.8273","0.0006","17.8273","0.0006","17.8273","0.0006","90","","90","","90","","5665.7","0.3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C2 H12 N6 O4 S -","- C2 H12 N6 O4 S -","- C40 H240 N120 O80 S20 -","20","0.833333","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0384","0.0371","","","0.1163","0.1178","","","","","","1.199","","","","has coordinates","262586","2021-03-05","01:48:42",""
"9001114","8.341","","8.341","","8.341","","90","","90","","90","","580.302","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","Titanomaghemite","- Fe2.18 O4 Ti0.42 -","- Fe2.18 O4 Ti0.42 -","- Fe17.44 O32 Ti3.36 -","8","0.333333","","Collyer, S.; Grimes, N. W.; Vaughan, D. J.; Longworth, G.","Studies of the crystal structure and crystal chemistry of titanomaghemite","American Mineralogist","1988","73","","153","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9017489","8.3474","","8.3474","","8.3474","","90","","90","","90","","581.639","","","","","","","","","","","","Synthetic","2","P 43 3 2","P 4acd 2ab 3","212","","","Maghemite","- Fe2.668 O4 -","- Fe21.34 O32 -","- Fe21.34 O32 -","","","","Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P.","Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies","Journal of Applied Crystallography","1995","28","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017493","8.3364","","8.3364","","8.3364","","90","","90","","90","","579.343","","","","","","","","","","","","Synthetic","2","P 43 3 2","P 4acd 2ab 3","212","","","Maghemite","- Fe2.645 O3.99 -","- Fe21.16 O31.92 -","- Fe21.16 O31.92 -","","","","Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J.","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","","414","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017519","8.3457","","8.3457","","8.3457","","90","","90","","90","","581.284","","","","","","","","","","","","Synthetic","2","P 43 3 2","P 4acd 2ab 3","212","","","Maghemite","- Fe2.645 O3.99 -","- Fe21.16 O31.92 -","- Fe21.16 O31.92 -","","","","Shin HS","A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns","Journal of the Korean Ceramic Society","1998","35","","1113","1119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""