# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T15:51:52+02:00
# 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 = 55 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
"2300689","10.9995","0.001","10.9995","0.001","12.698","0.001","90","","90","","120","","1330.5","0.2","298","","298","","","","","","","","","3","P 63","P 6c","173","","","","- Al63.643 Cr10 Cu18.381 -","- Al63.6433 Cr10 Cu18.3807 -","- Al63.6433 Cr10 Cu18.3807 -","1","0.166667","","Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa","Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase","Journal of Applied Crystallography","2022","55","1","74","79","10.1107/S1600576721011961","powder diffraction","","","X-rayCuKα","","","","","","","","","6.6258","","","","","","","","has coordinates,has Fobs","272818","2022-02-06","04:37:38",""
"2300690","200","","3.675","","100","","90","","90","","90","","73500","","295","","295","","","","","","","","","4","P 1","P 1","1","nanocrystalline calcium silicate hydrate","","","- Ca2.86 H7.67 O10.92 Si2.2 -","- Ca2.86 O10.92 Si2.2 -","- Ca22.88 O87.36 Si17.6 -","8","8","","Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried","Structure modeling and quantitative X-ray diffraction of C-(A)-S-H","Journal of Applied Crystallography","2022","55","1","","","10.1107/S1600576721012668","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","272218","2022-01-25","02:53:46",""
"2300692","27.6254","0.0009","12.7853","0.0004","23.5496","0.0008","90","","98.4791","0.0011","90","","8226.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H93 F21 N18 O32 Pr4 -","- C42 H93 F21 N18 O32 Pr4 -","- C168 H372 F84 N72 O128 Pr16 -","4","0.5","XX5001","Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam","Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution","Journal of Applied Crystallography","2022","55","4","890","900","10.1107/S1600576722005878","","","0.71073","MoKα","","0.0564","0.0502","","","0.1315","0.1376","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","277708","2022-09-07","10:02:50",""
"2300693","5.53","0.0004","11.9606","0.0015","5.535","0.0006","90","","104.508","0.003","90","","354.42","0.06","2","0.3","2","0.3","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0583","0.0583","","","0.1427","0.1427","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300694","5.5124","0.0004","11.9341","0.0014","5.5167","0.0006","90","","104.413","0.003","90","","351.5","0.06","6.7","0.1","6.7","0.1","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0615","0.0615","","","0.1339","0.1339","","","","3.33","3.33","3.33","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300705","5.3418","0.0006","9.1166","0.0015","14.697","0.002","90","","93.91","0.02","90","","714.06","0.17","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Mg6 O18 Si4 -","- H8 Mg6 O18 Si4 -","- H16 Mg12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285766","2023-08-15","07:58:29",""
"2300706","5.3444","0.0006","9.1074","0.0014","14.7086","0.0011","90","","94.18","0.02","90","","714.02","0.15","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg4 Ni2 O18 Si4 -","- H8 Mg4.36 Ni1.64 O18 Si4 -","- H16 Mg8.72 Ni3.28 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285767","2023-08-15","08:03:34",""
"2300707","5.3406","0.0006","9.0991","0.0015","14.7019","0.0013","90","","94.44","0.02","90","","712.29","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg3 Ni3 O18 Si4 -","- H8 Mg2.92 Ni3.08 O18 Si4 -","- H16 Mg5.84 Ni6.16 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285768","2023-08-15","08:06:05",""
"2300708","5.3415","0.0006","9.1095","0.0016","14.6976","0.0011","90","","94.31","0.02","90","","713.14","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg2 Ni4 O18 Si4 -","- H8 Mg2.48 Ni3.52 O18 Si4 -","- H16 Mg4.96 Ni7.04 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285769","2023-08-15","08:07:07",""
"2300709","5.3411","0.0008","9.0924","0.0017","14.6494","0.0019","90","","94.86","0.02","90","","708.87","0.19","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Ni6 O18 Si4 -","- H8 Ni6 O18 Si4 -","- H16 Ni12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285770","2023-08-15","08:14:59",""
"2300726","6.8534","0.0001","6.8534","0.0001","4.7556","0.0001","90","","90","","120","","193.441","0.006","300","","300","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe2 Mn3 Si3 -","- Fe2.0001 Mn2.9999 Si3 -","- Fe4.0002 Mn5.9998 Si6 -","2","0.0833333","","Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen","Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>.","Journal of applied crystallography","2022","55","Pt 5","1164","1172","10.1107/S1600576722007440","","x-ray","0.44279","synchrotron","","0.0315","0.0245","","","0.0259","0.0274","","","","1.31","1.31","1.27","","","","has coordinates,has Fobs","287856","2023-11-29","03:05:17",""