# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:28:02+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Applied Crystallography') AND volume = 53 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
"2300663","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","neutron","1.17","neutron","","0.1466","0.0944","","","0.0692","0.0718","","","","7.54","7.54","3.7","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300664","6.7705","0.0006","6.7705","0.0006","4.7044","0.0002","90","","90","","120","","186.76","0.02","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4 Mn Si3 -","- Fe8 Mn2 Si6 -","2","0.0833333","","Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen","Combined X-ray and neutron single-crystal diffraction in diamond anvil cells","Journal of Applied Crystallography","2020","53","1","9","14","10.1107/S1600576719014201","","x-ray","0.494","synchrotron","","0.0622","0.0619","","","0.0758","0.0758","","","","0","0","6.02","","","","has coordinates,has Fobs","247891","2020-10-21","18:00:00",""
"2300665","5.1505","0.0001","5.1505","0.0001","13.8742","0.0005","90","","90","","120","","318.741","0.014","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0182","0.0163","","","0.0204","0.0207","","","","1.62","1.62","1.54","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300666","5.1513","0.0001","5.1513","0.0001","13.8687","0.0006","90","","90","","120","","318.713","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0294","0.0287","","","0.0382","0.0383","","","","3.18","3.18","3.09","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300667","5.1516","0.0001","5.1516","0.0001","13.869","0.0006","90","","90","","120","","318.757","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0163","0.0152","","","0.0207","0.0209","","","","1.69","1.69","1.65","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300668","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.2612","0.1992","","","0.5092","0.5465","","","","","","1.583","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300669","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong","<i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction","Journal of Applied Crystallography","2020","53","5","1217","1224","10.1107/S1600576720009590","","","0.019","300kVelectrons","","0.1997","0.1758","","","0.4746","0.4914","","","","","","1.609","","","","has coordinates,has Fobs","258187","2020-10-21","18:00:00",""
"2300670","26.7958","0.0018","7.1586","0.0005","14.1598","0.0011","90","","90","","90","","2716.1","0.3","20","2","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob","Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector","Journal of Applied Crystallography","2020","53","3","635","","10.1107/S1600576720003775","","","","","","0.038","0.038","","","","0.025","","","","","","1.029","","","","has coordinates,has Fobs","256219","2020-10-21","18:00:00",""
"2300671","10.6656","0.0003","12.4599","0.0004","14.7567","0.0005","98.635","0.003","101.65","0.003","97.962","0.003","1869.79","0.11","150.2","0.2","150.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H29 Cl Cu N6 O14 -","- C40 H29 Cl Cu N6 O14 -","- C80 H58 Cl2 Cu2 N12 O28 -","2","1","","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","On the Hirshfeld surface for copper(II) atoms in different coordination environments","Journal of Applied Crystallography","2020","53","5","1321","1333","10.1107/S1600576720011413","","","0.71073","MoKα","","0.0781","0.062","","","0.1378","0.1462","","","","","","1.05","","","","has coordinates,has Fobs","258186","2020-10-21","18:00:00",""
"2300672","7.0195","0.0001","7.0195","0.0001","7.0195","0.0001","90","","90","","90","","345.874","0.009","297","","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- C6 D12 N4 -","- C6 D12 N4 -","- C12 D24 N8 -","2","0.0416667","","McMonagle, Charles J.; Allan, David R.; Warren, Mark R.; Kamenev, Konstantin V.; Turner, Gemma F.; Moggach, Stephen A.","High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar","Journal of Applied Crystallography","2020","53","6","1519","1523","10.1107/S1600576720013710","","","0.71073","MoKα","","0.0311","0.0307","","","0.0922","0.0925","","","","","","1.325","","","","has coordinates,has Fobs","259638","2020-12-07","01:49:49",""