# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-12-11T15:35:16+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 synchrotron radiation') 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 "1512557","5.5494","0.0015","14.35","0.006","7.481","0.002","90","","90","","90","","595.7","0.3","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Al2.5 B0.5 O4.5 -","- Al2.5 B0.5 O4.5 -","- Al20 B4 O36 -","8","1","FV5010","Rothkirch, André; Gatta, G. Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns-Peter","Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data","Journal of Synchrotron Radiation","2013","20","5","711","720","10.1107/S0909049513018621","","","0.28988","X-ray","","0.0891","0.0581","","","0.0633","0.0806","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00","" "1513252","3.9905","0.0013","3.9905","0.0013","4.0412","0.0014","90","","90","","90","","64.35","0.04","300","2","300","2","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","IA5038","Yasuda, Nobuhiro; Murayama, Haruno; Fukuyama, Yoshimitsu; Kim, Jungeun; Kimura, Shigeru; Toriumi, Koshiro; Tanaka, Yoshihito; Moritomo, Yutaka; Kuroiwa, Yoshihiro; Kato, Kenichi; Tanaka, Hitoshi; Takata, Masaki","X-ray diffractometry for the structure determination of a submicrometre single powder grain","Journal of Synchrotron Radiation","2009","16","3","352","357","10.1107/S090904950900675X","","","0.83351","Synchrotron","","0.0575","0.0524","","","0.0994","0.1024","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00","" "1513253","14.6049","0.0012","14.6049","0.0012","7.5464","0.0012","90","","90","","90","","1609.7","0.3","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","tetrakis((μ~3~-iodo)-piperidine copper(I))","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Kamiński, Radosław; Graber, Timothy; Benedict, Jason B.; Henning, Robert; Chen, Yu-Sheng; Scheins, Stephan; Messerschmidt, Marc; Coppens, Philip","Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography","Journal of Synchrotron Radiation","2010","17","4","479","485","10.1107/S0909049510019710","","x-ray","0.71073","MoKα","","0.031","0.0239","","","0.0549","0.0602","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00","" "1513300","10.604","0.000004","10.604","0.000004","10.604","0.000004","90","","90","","90","","1192.36","0.0008","295","","295","","","","","","","","","2","I a -3","-I 2b 2c 3","206","yttria oxide","yttria oxide","","- O3 Y2 -","- O3 Y2 -","- O48 Y32 -","16","0.333333","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","1.37791","synchrotron","","","","","","","","","","0.83","","","","","","","has coordinates","190338","2020-10-21","18:00:00","" "1513301","8.3814","0.0005","8.3814","","8.3814","","90","","90","","90","","588.78","0.04","14","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1513302","5.68278","0.00002","5.682775","","8.02337","0.00005","90","","90","","90","","259.106","0.0019","14","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba4 Fe2 O12 Re2 -","4","0.125","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1513303","8.063327","0.000013","8.063327","","8.063327","","90","","90","","90","","524.255","0.0008","400","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba Fe0.5 O3 Re0.5 -","- Ba Fe0.5 O3 Re0.5 -","- Ba8 Fe4 O24 Re4 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1513304","8.3985","0.0005","8.3985","","8.3985","","90","","90","","90","","592.39","0.04","400","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","iron oxide","iron oxide","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","ML5212","Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson; Kycia, Stefan W.; Bruno, Daniele; Droppa Jr, Roosevelt","X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6double perovskite","Journal of Synchrotron Radiation","2005","13","1","46","53","10.1107/S0909049505039208","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1513327","17.882","0.003","5.4573","0.0003","9.6817","0.0014","90","","104.699","0.008","90","","913.9","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 O -","- C5 H10 O -","- C40 H80 O8 -","8","2","XD5001","Moggach, S. A.; Allan, D. R.; Lozano-Casal, P.; Parsons, S.","High-pressure polymorphism of cyclopentanol (C5H10O): the structure of cyclopentanol phase-V at 1.5 GPa","Journal of Synchrotron Radiation","2005","12","5","590","597","10.1107/S0909049505021461","","","0.6777","synchrotronradiation","","0.0653","0.0487","","0.1278","0.1143","0.1278","","","","","","0.9318","","","","has coordinates","301776","2025-08-18","14:47:43","" "1513328","5.4203","0.0005","5.4203","0.0005","55.98","0.012","90","","90","","120","","1424.3","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.71073","MoKα","","0.0527","0.0476","","0.1054","0.1032","0.1054","","","","","","1.0671","","","","has coordinates","176729","2020-10-21","18:00:00","" "1513329","5.403","0.0001","5.403","0.0001","55.984","0.004","90","","90","","120","","1415.35","0.11","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0376","0.0351","","0.0894","0.085","0.0894","","","","","","1.0582","","","","has coordinates","301776","2025-08-18","14:47:43","" "1513330","5.3524","0.0002","5.3524","0.0002","55.087","0.014","90","","90","","120","","1366.7","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0379","0.0356","","0.0891","0.0879","0.0891","","","","","","1.0549","","","","has coordinates","301776","2025-08-18","14:47:43","" "1513331","5.3141","0.0001","5.3141","0.0001","54.291","0.003","90","","90","","120","","1327.75","0.08","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0519","0.0483","","0.1122","0.1097","0.1122","","","","","","1.0538","","","","has coordinates","301776","2025-08-18","14:47:43","" "1513332","5.2663","0.0001","5.2663","0.0001","53.549","0.005","90","","90","","120","","1286.15","0.12","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0967","0.0934","","0.2144","0.2112","0.2144","","","","","","1.0884","","","","has coordinates","301776","2025-08-18","14:47:43","" "1525684","10.7319","","10.7319","","3.8674","","90","","90","","90","","445.423","","","","","","","","","","","","","5","P 4/m","-P 4","83","","(La6.4 Ca1.6) Cu6 Ni2 O20","","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","1","0.125","","Binsted, N.; Fjellvåg, H.; Owens, C.; Stange, M.; Weller, M. T.","Application of combined EXAFS and powder diffraction analysis in solid state chemistry","Journal of Synchrotron Radiation","2001","8","2","305","307","10.1107/S0909049500020276","","","","","","","","","","","","","","","","","","","","","has coordinates","174862","2020-10-21","18:00:00","" "1526216","5.3934","","5.4364","","20.516","","90","","90","","90","","601.543","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- La3 Ni2 O6.94 -","- La3 Ni2 O6.94 -","- La12 Ni8 O27.76 -","4","0.125","","Park, J.-C.; Kim, D.-K.; Byeon, S.H.; Kim, D.","XANES study on Ruddlesden-Popper phase, La~n+1~Ni~n~O2~n+1~ (n = 1, 2 and ∞)","Journal of Synchrotron Radiation","2001","8","2","704","706","10.1107/S0909049500015983","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","Propionitrile","Propanenitrile","","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","301780","2025-08-18","21:43:35","" "1565717","14.5406","0.0012","13.2405","0.0007","17.1497","0.0012","90","","108.962","0.008","90","","3122.6","0.4","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 P2 S2 -","- C36 H30 P2 S2 -","- C144 H120 P8 S8 -","4","1","YW5001","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.1177","0.0669","","","0.1122","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:56","" "1565718","8.7782","0.0003","13.264","0.0005","15.3166","0.0004","87.778","0.003","88.384","0.003","75.173","0.003","1722.39","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 P2 S2 -","- C38 H28 F6 P2 S2 -","- C76 H56 F12 P4 S4 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0485","0.041","","","0.1049","0.1114","","","","","","1.042","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:58","" "1565719","11.5443","0.0003","11.6402","0.0003","13.0973","0.0003","113.227","0.002","110.729","0.002","92.865","0.002","1475.39","0.08","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 O3 P2 S4 U -","- C26 H26 O3 P2 S4 U -","- C52 H52 O6 P4 S8 U2 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0573","0.0598","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59","" "1565720","16.5607","0.0006","8.1303","0.0003","59.7044","0.0013","90","","90","","90","","8038.8","0.5","173","0.1","173","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H28 F12 O4 P2 S4 U -","- C32 H28 F12 O4 P2 S4 U -","- C256 H224 F96 O32 P16 S32 U8 -","8","2","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur K-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0791","0.0672","","","0.1675","0.1779","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59","" "1566757","5.1815","0.0002","18.2321","0.0011","8.8085","0.0005","90","","90","","90","","832.14","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Magnesium iron aluminium catena-alumosilicate","Magnesium iron aluminium catena-alumosilicate","Enstatite","- Al0.067 Fe0.067 Mg1.94 O6 Si1.93 -","- Al0.067 Fe0.067 Mg1.933 O6 Si1.933 -","- Al0.536 Fe0.536 Mg15.464 O48 Si15.464 -","8","1","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0327","0.0253","","","0.0364","0.0391","","","","1.85","1.85","1.87","","","","has coordinates,has Fobs","275879","2022-06-07","14:05:49","" "1566758","4.194","0.002","4.525","0.001","6.191","0.0001","90","","90","","90","","117.49","0.06","293","","293","","","","","","","","high-pressure high-temperature synthesis","4","P b n m","-P 2c 2ab","62","magnesium iron catena-silicate","magnesium iron catena-silicate","","- Fe0.091 Mg0.909 O3 Si -","- Fe0.091 Mg0.909 O3 Si -","- Fe0.364 Mg3.636 O12 Si4 -","4","0.5","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0417","0.0412","","","0.1144","0.1146","","","","3.68","3.68","3.55","","","","has coordinates","275879","2022-06-07","14:05:50","" "1566759","9.036","0.0001","9.036","0.0001","9.036","0.0001","90","","90","","90","","737.783","0.014","293","","293","","","","","","","","","2","I m -3","-I 2 2 3","204","Cobalt antimonide (1/3)","Cobalt antimonide (1/3)","","- Co Sb3 -","- Co Sb3 -","- Co8 Sb24 -","8","0.166667","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0154","0.0121","","","0.0324","0.0431","","","","1.06","1.06","1.34","","","","has coordinates","275879","2022-06-07","14:05:50","" "1567506","4.251","0.0002","4.251","0.0002","11.772","0.012","90","","90","","120","","184.23","0.19","293","","293","","103300000","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Dong, Weiwei; Glazyrin, Konstantin; Khandarkhaeva, Saiana; Fedotenko, Timofey; Bednarčík, Jozef; Greenberg, Eran; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Liermann, Hanns-Peter","Fe~0.79~Si~0.07~B~0.14~ metallic glass gaskets for high-pressure research beyond 1Mbar","Journal of Synchrotron Radiation","2022","29","5","1167","1179","10.1107/S1600577522007573","","x-ray","0.2898","synchrotron","","0.0576","0.0576","","","0.122","0.122","","","","3.66","3.66","3.66","","","","has coordinates,has Fobs","278499","2022-10-08","16:32:38","" "1569374","5.1456","0.0002","7.7415","0.0004","13.6223","0.0006","90","","90","","90","","542.64","0.04","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","","0.71073","MoKα","","0.0497","0.0395","","","0.0978","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:05","" "1569375","5.1419","0.0002","7.7217","0.0004","13.613","0.005","90","","90","","90","","540.5","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","MoKα","","0.0542","0.0404","","","0.1017","0.1246","","","","","","1.131","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23","" "1569376","5.1489","0.0005","7.7304","0.0005","13.602","0.006","90","","90","","90","","541.4","0.2","293","2","293","","","","150000","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","Synchrotron","","0.0507","0.0404","","","0.1088","0.1423","","","","","","1.222","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23","" "1573529","6.5252","0.0001","18.9769","0.0003","9.7779","0.0002","90","","108.857","0.0006","90","","1145.79","0.03","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Tajiri, Hiroo; Kohara, Shinji; Kimura, Koji; Halubai, Sekhar; Morimoto, Haruto; Happo, Naohisa; Stellhorn, Jens R.; Onodera, Yohei; Qiao, Xvsheng; Urushihara, Daisuke; Hu, Peidong; Wakihara, Toru; Kinoshita, Toyohiko; Hayashi, Koichi","Diffractometer for element-specific analysis on local structures using a combination of X-ray fluorescence holography and anomalous X-ray scattering.","Journal of synchrotron radiation","2025","32","1","125","132","10.1107/S1600577524011366","","x-ray","0.71073","MoKα","","0.0266","0.024","","","0.0619","0.073","","","","1.95","1.95","2.26","","","","has coordinates","296959","2024-12-24","03:00:09",""