# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-03T19:47:55+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 'Nature') 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
"1008355","3.8715","0.0006","3.8715","0.0006","11.738","0.002","90","","90","","90","","175.9","","","","","","","","","","prepared at T = 950 C","","","4","P 4/m m m","-P 4 2","123","","Yttrium barium copper oxide (.9/2.1/3/6) - prepared at T = 950 C","","- Ba2.1 Cu3 O6 Y0.9 -","- Ba2.11 Cu3 O6 Y0.89 -","- Ba2.11 Cu3 O6 Y0.89 -","1","0.0625","","Bordet, P; Chaillout, C; Capponi, J J; Chenavas, J; Marezio, M","Crystal structure of Y~0.9~ Ba~2.1~ Cu~3~ O~6~, a compound related to the high-T~c~ superconductor Y Ba~2~ Cu~3~ O~7~.","Nature (London)","1987","327","","687","689","10.1038/327687a0","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008369","3.851","0.001","3.869","0.001","50.29","0.02","90","","90","","90","","749.3","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Diyttrium tetrabarium heptacuprate","","- Ba4 Cu7 O14.3 Y2 -","- Ba4 Cu7 O14.3 Y2 -","- Ba8 Cu14 O28.6 Y4 -","2","0.125","","Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M; Karpinski, J; Kaldis, E","Structure Determination of the new high-temperature Superconductor Y Ba Cu O (2/4/7/14.30)","Nature (London)","1988","334","","596","598","10.1038/334596a0","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008815","5.948","0.0002","6.0951","0.0002","8.4854","0.0003","90","","90.063","0.006","90","","307.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Strontium bismuth trioxide","","- Bi O3 Sr -","- Bi O3 Sr -","- Bi4 O12 Sr4 -","4","1","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008816","5.9416","0.0002","5.9416","0.0002","8.4394","0.0004","90","","90","","90","","297.9","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Strontium potassium bismuth oxide (0.44/0.56/1/3)","","- Bi K0.56 O3 Sr0.44 -","- Bi K0.56 O3 Sr0.44 -","- Bi4 K2.24 O12 Sr1.76 -","4","0.125","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010411","9.2","","9.2","","7.4","","90","","90","","90","","626.3","","","","","","","","","","","","","2","P 4/n :1","P 4ab -1ab","85","","Phosphorus(V) chloride","","- Cl5 P -","- Cl1.75 P -","- Cl7 P4 -","4","0.5","","Powell, H M; Clark, D; Wells, A F","Crystal Structure of Phosphorus Pentachloride","Nature (London)","1940","145","","149","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010412","6.391","","6.391","","6.391","","90","","90","","90","","261","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium silicide","","- Mg2 Si -","- Mg2 Si -","- Mg8 Si4 -","4","0.0208333","","Owen, E A; Preston, G D","The atomic structure of two intermetallic compounds","Nature (London)","1924","113","","914","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010413","8.5","0.09","4.73","0.05","5.72","0.06","90","","90","","90","","230","","","","","","","","","","","","","2","C c m m","-C 2c 2c","63","","Chromium(VI) oxide","","- Cr O3 -","- Cr O1.5 -","- Cr4 O6 -","4","0.25","","Wooster, W A; Wooster, N","Crystal Structure of Chromium Trioxide","Nature (London)","1931","127","","782","782","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010414","4.93","","4.93","","6.25","","90","","90","","120","","131.6","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Aluminium fluoride","","- Al F3 -","- Al F3 -","- Al3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010415","5.2","","5.2","","6.66","","90","","90","","120","","156","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Iron(III) fluoride","","- F3 Fe -","- F3 Fe -","- F9 Fe3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010416","5.06","","5.06","","6.63","","90","","90","","120","","147","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Cobalt(III) fluoride","","- Co F3 -","- Co F3 -","- Co3 F9 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010417","4.88","","4.88","","6.81","","90","","90","","120","","140.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Rhodium(III) fluoride","","- F3 Rh -","- F3 Rh -","- F9 Rh3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010418","5.05","","5.05","","7.08","","90","","90","","120","","156.4","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","Palladium(III) fluoride","","- F3 Pd -","- F3 Pd -","- F9 Pd3 -","3","0.5","","Ketelaar, J A A","Structure of the Trifluorides of Aluminium, Iron, Cobalt, Rhodium, and Palladium","Nature (London)","1931","128","","303","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010419","3.85","","3.85","","3.85","","90","","90","","90","","57.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium tungstate(V)","","- Na O3 W -","- Na O3 W -","- Na O3 W -","1","0.0208333","","Haegg, G","The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points","Nature (London)","1935","135","","874","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010420","3.813","","3.813","","3.813","","90","","90","","90","","55.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium tungsten oxide (.35/1/3)","","- Na0.35 O3 W -","- Na0.35 O3 W -","- Na0.35 O3 W -","1","0.0208333","","Haegg, G","The Spinels and the Cubic Sodium - Tungsten Bronzes as New Examples of Structures with Vacant Lattice Points","Nature (London)","1935","135","","874","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010421","3.92","","3.92","","8.11","","90","","90","","90","","124.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide bromide","","- Bi Br O -","- Bi Br O -","- Bi2 Br2 O2 -","2","0.125","","Bannister, F A","Crystal Structure of Bismuth Oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010422","4.09","","4.09","","7.21","","90","","90","","90","","120.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide iodide","","- Bi I O -","- Bi I O -","- Bi2 I2 O2 -","2","0.125","","Bannister, F A","Crystal Structure of Bismuth Oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010540","6.007","0.006","6.007","0.006","4.035","0.004","90","","90","","90","","145.6","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Ammonium bromide","","- Br H4 N -","- Br H4 N -","- Br2 H8 N2 -","2","0.125","","Ketelaar, J A A","Crystal Structure of the Low Temperature Modification of Ammonium Bromide","Nature (London)","1934","134","","250","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010776","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Fluorotrichloromethane","","- C Cl3 F -","","","","","","Wouters, J; De Hemptinne, M","Interatomic distances of F C Cl~3~ and F C Br~3~","Nature (London)","1938","141","","412","413","","","","","","","","","","","","","","","","","","","","","","","114540","2020-10-21","18:00:00",""
"1010777","","","","","","","","","","","","","","","","","","","","","","","","","","2","","","","","Fluorotribromomethane","","- Br3 F -","","","","","","Wouters, J; De Hemptinne, M","Interatomic distances of F C Cl~3~ and F C Br~3~","Nature (London)","1938","141","","412","413","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010780","23.281","0.002","23.281","","23.281","","90","","90","","90","","12618.4","","","","","","","","","","","","","4","","","","","Dodecatungstophosphoric acid 30-hydrate","","- H63 O70 P W12 -","","","8","","","Keggin, J F","Structure of the crystals of 12-phosphotungstic acid","Nature (London)","1933","132","","351","351","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010785","10.2","","10.2","","10.2","","90","","90","","90","","1061.2","","","","","","","","","","","","","3","","","","","Sodium iron hexacyanoferrate","","- Fe2 N6 Na -","","","","","","Keggin, J F; Miles, F D","Structures and formulae of the prussian blues and related compounds","Nature (London)","1936","137","","577","578","10.1038/137577a0","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010786","5.1","","5.1","","5.1","","90","","90","","90","","132.7","","","","","","","","","","","","","3","","","","","Disodium iron hexacyanoferrate(II)","","- Fe2 N6 Na2 -","","","","","","Keggin, J F; Miles, F D","Structures and formulae of the prussian blues and related compounds","Nature (London)","1936","137","","577","578","10.1038/137577a0","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1011032","8.32","","8.32","","8.32","","90","","90","","90","","575.9","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Bragg, W. H.","The Structure of Magnetite and the Spinels","Nature (London)","1915","95","","561","561","10.1038/095561a0","","","","","","","","","","","","","","","","","","","","","has coordinates","208346","2020-10-21","18:00:00",""
"1011173","4.22","","4.22","","4.22","","90","","90","","90","","75.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bragg, W L","Crystal structure","Nature (London)","1920","105","","646","648","10.1038/105646a0","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011174","11.48","0.01","4.36","0.005","3.555","0.005","90","","90","","90","","177.9","","","","","","","","","","","","synthetic from melt","2","P m n 21","P 2ac -2","31","","Vanadium oxide","Shcherbianite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","","Ketelaar, J A A","Crystal structure and shape of colloidal particles of vanadium pentoxide","Nature (London)","1936","137","","316","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011175","3.89","","3.89","","7.37","","90","","90","","90","","111.5","","","","","","","","","","","","synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide chloride","Bismoclite","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Bannister, F A","Crystal structure of bismuth oxyhalides","Nature (London)","1934","134","","856","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011177","12.18","","12.18","","12.18","","90","","90","","90","","1806.9","","","","","","","","","","","","alum - synthetic","5","P a -3","-P 2ac 2ab 3","205","","Potassium aluminium sulfate(VI) dodecahydrate","Alum-K","- Al H24 K O20 S2 -","- Al H24 K O20 S2 -","- Al4 H96 K4 O80 S8 -","4","0.166667","","Beevers, C A; Lipson, H","Crystal structure of the alums","Nature (London)","1934","134","","327","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011282","4.78","","4.78","","4.78","","90","","90","","90","","109.2","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Sodium fluoride","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Bragg, W L","Crystal structure of Na F","Nature (London)","1920","105","","646","648","10.1038/105646a0","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011365","6.126","","6.126","","6.126","","90","","90","","90","","229.9","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Aluminium antimonide","","- Al Sb -","- Al Sb -","- Al4 Sb4 -","4","0.0416667","","Owen, E A; Preston, G D","The atomic structure of two intermetallic compounds","Nature (London)","1924","113","","914","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1505005","15.4764","0.0013","16.426","0.002","30.614","0.002","90","","90","","90","","7782.5","1.3","200","","200","","","","","","","","acetonitrile,water","5","P 21 21 21","P 2ac 2ab","19","","imido-di(3,3'-di(2,4,6-triethylphenyl)-1,1'-binaphthyl-2,2'-dioxy-phosphate) mono-hydrate acetonitrile solute","","- C90 H91 N2 O7 P2 -","- C90 H91 N2 O7 P2 -","- C360 H364 N8 O28 P8 -","4","1","","Čorić, Ilija; List, Benjamin","Asymmetric spiroacetalization catalysed by confined Brønsted acids.","Nature","2012","483","7389","315","319","10.1038/nature10932","","","0.71073","MoKα","","0.1271","0.0718","","","0.1431","0.165","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508227","10.24","","10.24","","9.652","","90","","90","","90","","1012.09","","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","ACP-1","","- C8 Co8 N8 O34 P8 -","- C8 Al0.88 Co7.12 N8 O34 P8 -","- C8 Al0.88 Co7.12 N8 O34 P8 -","1","0.0625","","Feng, Pingyun; Bu, Xianhui; Stucky, Galen D.","Hydrothermal syntheses and structural characterization of zeolite analogue compounds based on cobalt phosphate","Nature","1997","388","","735","741","10.1038/41937","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509135","13.2994","0.0018","10.3952","0.0016","14.194","0.002","90","","105.149","0.017","90","","1894.13","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509136","10.1195","0.0012","16.183","0.002","12.5912","0.0016","90","","109.271","0.014","90","","1946.45","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509137","7.7202","0.0011","11.3237","0.0016","13.3783","0.0018","111.818","0.015","91.43","0.017","95.982","0.017","1077.29","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H42 -","- C32 H42 -","- C64 H84 -","2","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510740","4.683","","4.683","","15.311","","90","","90","","120","","290.792","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Sr2 (Be2 B2 O7)","","- B2 Be2 O7 Sr2 -","- B2 Be2 O7 Sr2 -","- B4 Be4 O14 Sr4 -","2","0.166667","","Wu, K.-C.; Zeng, W.-I.; Chen, C.-T.; Wu, B.-C.; Yu, L.-H.; Wang, Y.-B.","Design and synthesis of an ultraviolet-transparent nonlinear optical crystal Sr2 Be2 B2 O7","Nature (London)","1995","373","","322","324","10.1038/373322a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510743","3.73","","3.73","","20.67","","90","","90","","90","","287.58","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La3 Ni2 B2 N3","","- B2 La3 N3 Ni2 -","- B2 La3 N3 Ni2 -","- B4 La6 N6 Ni4 -","2","0.0625","","Jansen, J.; Peck, W.F.jr.; Krajewski, J.J.; Zandbergen, H.W.; Cava, R.J.","Structure of the 13 K superconductor La3 Ni2 B2 N3 and the related phase La Ni B N","Nature (London)","1994","372","","759","761","10.1038/372759a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510803","4.684","","2.872","","4.096","","90","","90","","90","","55.101","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Os B2","","- B2 Os -","- B2 Os -","- B4 Os2 -","2","0.25","","Stenberg, E.; Aronsson, B.; Aselius, J.","Borides of ruthenium, osmium and iridium","Nature (London)","1962","195","","377","378","10.1038/195377a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510818","4.645","","2.865","","4.045","","90","","90","","90","","53.831","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru B2","","- B2 Ru -","- B2 Ru -","- B4 Ru2 -","2","0.25","","Aselius, J.; Aronsson, B.; Stenberg, E.","Borides of ruthenium, osmium and iridium","Nature (London)","1962","195","","377","378","10.1038/195377a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511203","3.73","","3.73","","7.64","","90","","90","","90","","106.295","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","La Ni B N","","- B La N Ni -","- B La N Ni -","- B2 La2 N2 Ni2 -","2","0.125","","Jansen, J.; Krajewski, J.J.; Zandbergen, H.W.; Peck, W.F.jr.; Cava, R.J.","Structure of the 13 K superconductor La3 Ni2 B2 N3 and the related phase La Ni B N","Nature (London)","1994","372","","759","761","10.1038/372759a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511344","10.52","","2.91","","6.099","","90","","91","","90","","186.681","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ir B1.5","","- B1.5 Ir -","- B1.5 Ir -","- B12 Ir8 -","8","1","","Stenberg, E.; Aronsson, B.; Aselius, J.","Borides of ruthenium, osmium and iridium","Nature (London)","1962","195","","377","378","10.1038/195377a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511515","6.319","","6.319","","12.713","","90","","90","","120","","439.618","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Si B4","","- B4 Si -","- B3.99933 Si1.00067 -","- B35.994 Si9.006 -","9","0.25","","Brosset, C.; Magnusson, B.","The Silicon - Boron System","Nature (London)","1960","187","","54","55","10.1038/187054a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513174","26.51263","0.00027","26.51263","0.00027","26.51263","0.00027","90","","90","","90","","18636.2","0.3","","","","","","","","","","","","7","P 41 3 2","P 4bd 2ab 3","213","","","","- C231 H700 F20 Ge80 N21 O524 Si112 -","- C374.4 F20 Ge80 O524.8 Si112 -","- C374.4 F20 Ge80 O524.8 Si112 -","1","0.0416667","","Sun, Junliang; Bonneau, Charlotte; Cantín, Ángel; Corma, Avelino; Díaz-Cabañas, María J.; Moliner, Manuel; Zhang, Daliang; Li, Mingrun; Zou, Xiaodong","The ITQ-37 mesoporous chiral zeolite.","Nature","2009","458","7242","1154","1157","10.1038/nature07957","","","","","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1520216","3.87766","0.00004","3.87766","","9.5073","0.0001","90","","90","","90","","142.954","0.002","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium Mercury Copper Oxide (2/1/1/4.1)","","- Ba2 Cu Hg O4.1 -","- Ba2 Cu Hg O4.1 -","- Ba2 Cu Hg O4.1 -","1","0.0625","","Putilin, S.N.; Antipov, E.V.; Chmaissem, O.; Marezio, M.","Superconductivity at 94 K in Hg Ba2 Cu O4+delta","Nature","1993","362","","226","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522696","8.312","","8.312","","3.897","","90","","90","","90","","269.241","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pt8 Ti -","- Pt8 Ti -","- Pt16 Ti2 -","2","0.0625","","Pietrokowsky, P.","Novel ordered phase, Pt8 Ti","Nature (London)","1965","206","","291","291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523304","3.166","","4.854","","4.652","","90","","90","","90","","71.491","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","(Nb0.2 Ti0.8)","","- Nb0.2 Ti0.8 -","- Nb0.2 Ti0.8 -","- Nb0.8 Ti3.2 -","4","0.25","","Brown, A.R.G.; Clark, D.; Eastabrook, J.; Jepson, K.S.","The titanium-niobium system","Nature (London)","1964","201","","914","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","143919","2020-10-21","18:00:00",""
"1523598","5.0182","","5.0182","","5.0182","","90","","90","","90","","126.37","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","(Re0.22 W0.78)","","- Re0.22 W0.78 -","- Re0.22 W0.78 -","- Re1.76 W6.24 -","8","0.166667","","Federer, J.I.; Steele, R.M.","Identification of a beta-tungsten phase in tungsten- rhenium alloys","Nature (London)","1965","205","","587","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","144218","2020-10-21","18:00:00",""
"1524454","5.38","","5.38","","5.55","","90","","90","","90","","160.641","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","U.88 O2.12","","- O0.12 U0.88 -","- O0.12 U0.88 -","- O0.48 U3.52 -","4","0.25","","Gronvold, F.; Haraldsen, H.","Oxidation of Uranium Dioxide (U O2)","Nature (London)","1948","162","","69","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145221","2020-10-21","18:00:00",""
"1525196","30.56","","30.56","","30.56","","90","","90","","90","","28540.4","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Cd1.83 Na1.12","","- Cd0.899592 Na0.161633 -","- Cd0.899592 Na0.161633 -","- Cd352.64 Na63.36 -","392","2.04167","","Samson, S.","Crystal structure of Na Cd2","Nature (London)","1962","195","","259","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527571","10.4714","","10.4714","","8.6171","","90","","90","","90","","944.867","","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","Ca11.76 ((Si0.75 Al0.25)4.44 O19.82) Cl1.05","","- Al1.11 Ca11.76 Cl1.05 O19.82 Si3.33 -","- Al1.112 Ca11.76 Cl1.05 O19.82 Si3.332 -","- Al2.224 Ca23.52 Cl2.1 O39.64 Si6.664 -","2","0.125","","Ilyukhin, V.V.; Nevskii, N.N.; Howie, R.A.; Bickbau, M.J.","Crystal structure of alinite","Nature (London)","1977","269","","397","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","149200","2020-10-21","18:00:00",""
"1528382","9.067","","3.3","","7.718","","90","","119.35","","90","","201.289","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Mo As2","","- As2 Mo -","- As2 Mo -","- As8 Mo4 -","4","1","","Brown, A.","Structure data for some arsenic- and germanium-rich compounds of molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528383","5.299","","5.983","","2.885","","90","","90","","90","","91.466","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Mo.4 As2","","- As2 Mo0.4 -","- As2 Mo0.4 -","- As4 Mo0.8 -","2","0.25","","Brown, A.","Structure data for some Arsenic- and Germanium-rich Compounds of Molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","150536","2020-10-21","18:00:00",""
"1528384","6.343","","3.451","","8.582","","90","","90","","90","","187.857","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mo Ge2","","- Ge2 Mo -","- Ge2 Mo -","- Ge8 Mo4 -","4","0.5","","Brown, A.","Structure data for some arsenic- and germanium-rich compounds of molybdenum","Nature (London)","1965","206","","502","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528620","6.8","","6.8","","6.8","","90","","90","","90","","314.432","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","","","- H2 O -","- H2 O -","- H24 O12 -","12","1.5","","Kamb, W.B.; Datta, S.K.","Crystal structures of the high-pressure froms of ice: Ice III","Nature (London)","1960","187","","140","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529442","45.0711","0.0003","45.0711","0.0003","45.0711","0.0003","90","","90","","90","","91557.6","1.1","298","","298","","","","","","","","","6","I m -3 m","-I 4 2 3","229","as_made_ZSM-25","","","- C305 Al334 N38 Na296 O3692 Si1106 -","- C305.427 Al333.936 N38.1776 Na296.421 O3692.12 Si1106.06 -","- C305.427 Al333.936 N38.1776 Na296.421 O3692.12 Si1106.06 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.63248","synchrotron","","","","","","","","0.02492","","2.875","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1529443","44.9242","0.0016","44.9242","0.0016","44.9242","0.0016","90","","90","","90","","90665","6","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","calcinedhy_drated_ZSM-25","","","- Al325 Na285 O3726 Si1115 -","- Al325.008 Na284.592 O3726.36 Si1114.99 -","- Al325.008 Na284.592 O3726.36 Si1114.99 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","1.5418","CuKα","","0.0109","","","","","","0.00532","","3.869","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529444","55.0437","0.0016","55.0437","0.0016","55.0437","0.0016","90","","90","","90","","166772","8","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","as made PST-20","","","- C448 Al638 N56 Na162 O5843 Si2002 Sr210 -","- C448.006 Al638.088 N56 Na162 O5843.2 Si2001.91 Sr210.029 -","- C448.006 Al638.088 N56 Na162 O5843.2 Si2001.91 Sr210.029 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.40091","synchrotron","","0.031","","","","","","0.0485","","4.6","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1529445","55.0664","0.0007","55.0664","0.0007","55.0664","0.0007","90","","90","","90","","166978","4","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","Na_exchanged_PST_20","","","- C448 Al638 N56 Na560 O5866 Si2002 Sr11 -","- C448.006 Al638.088 N56 Na559.452 O5866 Si2001.91 Sr10.4472 -","- C448.006 Al638.088 N56 Na559.452 O5866 Si2001.91 Sr10.4472 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.40091","synchrotron","","","","","","","","0.05625","","3.589","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1530728","19.36","","19.36","","19.36","","90","","90","","90","","7256.31","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Si O2","","- O2 Si -","- O2 Si -","- O272 Si136 -","136","0.708333","","Schlenker, J.L.; Dwyer, F.G.; Jenkins, E.E.; Kokotailo, G.T.; Rohrbaugh, W.J.; Meier, W.M.","Crystal structure of a synthetic high silica zeolite-ZSM-39","Nature (London)","1981","294","","340","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530881","5.5923","","5.5923","","22.5576","","90","","90","","120","","610.948","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Li0.57 Na0.45 Al11 O17","","- Al11 Li0.57 Na0.45 O17 -","- Al11 Li0.57 Na0.45 O16.999 -","- Al22 Li1.14 Na0.9 O33.998 -","2","0.0833333","","Tofield, B.C.; Farrington, G.C.","Structure of lithium-sodium beta-alumina by powder neutron diffraction","Nature (London)","1979","278","","438","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","156111","2020-10-21","18:00:00",""
"1532748","8.722","","8.722","","5.08","","90","","90","","90","","386.452","","","","","","","","","","","","","2","P 42/n n m :1","P 4n 2 -1n","134","","B48 B2 C2","","- C2 B50 -","- C1.816 B50.032 -","- C1.816 B50.032 -","1","0.0625","","Will, G.; Ploog, K.","Crystal structure of I-tetragonal boron","Nature (London)","1974","251","","406","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534327","19.87","","9.63","","6.875","","89.28","","92.22","","108.95","","1243.29","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca8 H2 (P O4)6 (H2 O)5","","- Ca8 H12 O29 P6 -","- Ca8 O29 P6 -","- Ca16 O58 P12 -","2","1","","Brown, Walter E.","Octacalcium phosphate and hydroxyapatite","Nature (London)","1962","196","","1048","1050","10.1038/1961048b0","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535770","5.2285","","5.2285","","3.881","","90","","90","","90","","106.096","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","H0.23 W O3","","- H0.23 O3 W -","- H0.23 O3 W -","- H0.46 O6 W2 -","2","0.125","","Dickens, P.G.; Hurditch, R.J.","X-ray and neutron diffraction studies of a tetragonal hydrogen bronze = Hx W O3","Nature (London)","1967","215","","1266","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537320","3.4517","","3.4517","","11.68","","90","","90","","90","","139.158","","","","","","","","","","","","","2","I 41","I 4bw","80","","Nb As","","- As Nb -","- As Nb -","- As4 Nb4 -","4","0.5","","Furuseth, S.; Kjekshus, A.","Arsenides and Antimonides of Niobium","Nature (London)","1964","203","","512","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537664","5.435","","5.463","","15.817","","90","","90","","90","","469.629","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Pb2 Sr2.24 Nd0.76 Cu3 O8","","- Cu3 Nd0.76 O8 Pb2 Sr2.24 -","- Cu3 Nd0.76 O8 Pb2 Sr2.24 -","- Cu6 Nd1.52 O16 Pb4 Sr4.48 -","2","0.125","","Cava, R.J.; Gallagher, P.K.; Batlogg, B.; Krajewski, J.J.; Rupp, L.W.jr.; Schneemeyer, L.F.; Siegrist, T.; Waszczak, J.V.; van Dover, R.B.; Hull, R.; Marsh, P.; Glarum, S.H.; Marshall, J.H.; Peck, W.F.jr.; Trevor, P.L.; Farrow, R.F.C.","Superconductivity near 70 K in a new family of layered copper oxides","Nature (London)","1988","336","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","165965","2020-10-21","18:00:00",""
"1538028","4.22","","4.22","","4.22","","90","","90","","90","","75.151","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nb3 Si -","- Nb3 Si -","- Nb3 Si -","1","0.0208333","","Galasso, F.; Bayles, B.; Soehle, S.","Superconducting alloys of the Nb3 Snx M1-x type","Nature (London)","1963","198","","984","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538103","3.205","","3.205","","2.981","","90","","90","","120","","26.518","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(In7 Sb3)0.2","","- In1.4 Sb0.6 -","- In1.4 Sb0.6 -","- In1.4 Sb0.6 -","1","0.0416667","","Giessen, B.C.; Kane, R.H.; Grant, N.J.","A metastable intermediate phase in the system indium - indium antimony","Nature (London)","1965","207","","854","855","","","","","","","","","","","","","","","","","","","","","","has coordinates","166530","2020-10-21","18:00:00",""
"1538548","5.44","","5.614","","6.12","","90","","90","","90","","186.906","","","","","","","","","","","","","2","B b 21 m","B -2 -2b","36","","D Br","","- Br D -","- Br D -","- Br4 D4 -","4","0.5","","Sandor, E.; Johnson, M.W.","Crystal structure and the lower phase transition in solid deuterium bromide","Nature (London)","1968","217","","541","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","208255","2020-10-21","18:00:00",""
"1538549","6.754","","6.754","","4.11","","90","","90","","90","","187.484","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- H2 S -","- H2 S -","- H8 S4 -","4","0.25","","Sandor, E.; Ogunade, S.O.","Structure and Phase Transition in Solid Hydrogen and Deuterium sulphides","Nature (London)","1969","224","","905","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538550","13.47","","13.47","","4.101","","90","","90","","90","","744.089","","","","","","","","","","","","","2","P 42","P 4c","77","","","","- D2 S -","- D2 S -","- D32 S16 -","16","4","","Sandor, E.; Ogunade, S.O.","Structure and phase transition in solid hydrogen and deuterium sulphides","Nature (London)","1969","224","","905","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538551","5.739","","5.739","","5.739","","90","","90","","90","","189.02","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- D2 S -","- D2.0004 S -","- D8.0016 S4 -","4","0.166667","","Sandor, E.; Ogunade, S.O.","Structure and phase transition in solid hydrogen and deuterium sulphides","Nature (London)","1969","224","","905","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539075","5.543","","5.543","","5.543","","90","","90","","90","","170.308","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ir2 P -","- Ir2 P -","- Ir8 P4 -","4","0.0208333","","Rundqvist, S.","Phosphides of the platinum metals","Nature (London)","1960","185","","31","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539227","6.1298","","6.1374","","8.6628","","90","","90","","90","","325.903","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Ba.96 K.04 Bi O3","","- Ba0.96 Bi K0.04 O3 -","- Ba0.96 Bi K0.04 O3 -","- Ba3.84 Bi4 K0.16 O12 -","4","0.25","","Schneemeyer, L.F.; Thomas, J.K.; Siegrist, T.; Batlogg, B.; Rupp, L.W.jr.; Murphy, D.W.; Cava, R.J.; Opila, R.L.","Growth and structural characterization of superconducting Ba1-x Kx Bi O3 Single Crystals","Nature (London)","1988","335","","421","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539379","3.8611","","3.8611","","3.1995","","90","","90","","90","","47.698","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ca.86 Sr.14 Cu O2","","- Ca0.86 Cu O2 Sr0.14 -","- Ca0.86 Cu O2 Sr0.14 -","- Ca0.86 Cu O2 Sr0.14 -","1","0.0625","","Siegrist, T.; Roth, R.S.; Zahurak, S.M.; Murphy, D.W.","The parent structure of the layered high-temperature superconductors","Nature (London)","1988","334","","231","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539501","5.721","","5.721","","10.095","","90","","90","","90","","330.408","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Mg Si P2","","- Mg P2 Si -","- Mg P2 Si -","- Mg4 P8 Si4 -","4","0.25","","Springthorpe, A.J.; Harrison, J.G.","Mg Si P2: a new member of the II IV V2 family of semiconducting compounds","Nature (London)","1969","222","","977","977","10.1038/222977a0","","","","","","","","","","","","","","","","","","","","","has coordinates","280127","2023-01-05","16:34:19",""
"1539762","7.278","","7.278","","6.807","","90","","90","","90","","360.562","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 P O4)","","- H2 K O4 P -","- K O4 P -","- K4 O16 P4 -","4","0.25","","Endo, S.; Chino, T.; Tsuboi, S.; Koto, K.","Pressure-induced transition of the hydrogen bond in the ferroelectric compounds K H2 P O4 and K D2 P O4","Nature (London)","1989","340","","452","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539905","4.028","","4.028","","3.852","","90","","90","","120","","54.125","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","U Si2","","- Si2 U -","- Si2 U -","- Si2 U -","1","0.0416667","","Brown, A.; Norreys, J.J.","beta-polymorphs of uranium and thorium disilicides.","Nature (London)","1959","183","","673","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540304","3.4496","","3.4496","","5.5137","","90","","90","","120","","56.821","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Lipson, H.; Stokes, A.R.","Structures of thallium","Nature (London)","1941","148","","437","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541008","14.24","","14.24","","14.24","","90","","90","","90","","2887.55","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","K3 C60","","- C60 K3 -","- C60 K3 -","- C240 K12 -","4","0.0208333","","Stephens, P.W.; Mihaly, L.; Kaner, R.; Whetten, R.L.; Lee, P.-L.; Huang, S.-M.; Deiderich, F.; Holczer, K.","Structure of single-phase superconducting K3 C60","Nature (London)","1991","351","","632","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","172214","2020-10-21","18:00:00",""
"1541404","3.54","","3.54","","3.54","","90","","90","","90","","44.362","","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","","","","- C -","- C -","- C8 -","8","0.0416667","","Grenville-Wells, H.J.; Lonsdale, K.","X-ray study of laboratory-made diamonds","Nature (London)","1958","181","","758","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541453","11.1","","11.1","","11.1","","90","","90","","90","","1367.63","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn3 Ti3 O","","- Mn3 O Ti3 -","- Mn3 O Ti3 -","- Mn48 O16 Ti48 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541455","11.14","","11.14","","11.14","","90","","90","","90","","1382.47","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe3 Ti3 O","","- Fe3 O Ti3 -","- Fe3 O Ti3 -","- Fe48 O16 Ti48 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541457","11.16","","11.16","","11.16","","90","","90","","90","","1389.93","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Co3 Ti3 O","","- Co3 O Ti3 -","- Co3 O Ti3 -","- Co48 O16 Ti48 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541459","11.18","","11.18","","11.18","","90","","90","","90","","1397.42","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ni3 Ti3 O","","- Ni3 O Ti3 -","- Ni3 O Ti3 -","- Ni48 O16 Ti48 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541461","11.24","","11.24","","11.24","","90","","90","","90","","1420.04","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cu3 Ti3 O","","- Cu3 O Ti3 -","- Cu3 O Ti3 -","- Cu48 O16 Ti48 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541463","11","","11","","11","","90","","90","","90","","1331","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn2 Ti4 O","","- Mn2 O Ti4 -","- Mn2 O Ti4 -","- Mn32 O16 Ti64 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541465","11.31","","11.31","","11.31","","90","","90","","90","","1446.73","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 Ti4 O","","- Fe2 O Ti4 -","- Fe2 O Ti4 -","- Fe32 O16 Ti64 -","16","0.0833333","","Karlsson, N.","Metallic OXides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541467","11.32","","11.32","","11.32","","90","","90","","90","","1450.57","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Co2 Ti4 O","","- Co2 O Ti4 -","- Co2 O Ti4 -","- Co32 O16 Ti64 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541469","11.37","","11.37","","11.37","","90","","90","","90","","1469.88","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ni2 Ti4 O","","- Ni2 O Ti4 -","- Ni2 O Ti4 -","- Ni32 O16 Ti64 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541471","11.44","","11.44","","11.44","","90","","90","","90","","1497.19","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Cu2 Ti4 O","","- Cu2 O Ti4 -","- Cu2 O Ti4 -","- Cu32 O16 Ti64 -","16","0.0833333","","Karlsson, N.","Metallic Oxides with the Structure of High-speed Steel Carbide","Nature (London)","1951","168","","558","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541503","6.351","","6.351","","6.351","","90","","90","","90","","256.169","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- H2 O -","- H2 O -","- H16 O8 -","8","0.0416667","","Lisgarten, N.D.; Blackman, M.","The Cubic Form of Ice","Nature (London)","1956","178","","39","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541535","24.6","","24.6","","24.6","","90","","90","","90","","14886.9","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","Na18.24 Ca11.74 Ce5.76 (Al59 Si133 O384) (H2 O)57.28","","- Al59 Ca11.74 Ce5.76 H114.56 Na18.24 O441.28 Si133 -","- Al59.0016 Ca11.7408 Ce5.76 Na18.24 O441.28 Si132.998 -","- Al59.0016 Ca11.7408 Ce5.76 Na18.24 O441.28 Si132.998 -","1","0.00520833","","Olson, D.H.; Kokotailo, G.T.; Charnell, J.F.","Crystal structure of cerium(III) exchanged faujasite","Nature (London)","1967","215","","270","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541541","5.4","","5.4","","5.4","","90","","90","","90","","157.464","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ar -","- Ar -","- Ar4 -","4","0.0208333","","Dobbs, E.R.; Figgins, B.F.; Jones, G.O.; Piercey, D.C.; Riley, D.P.","Density and expansivity of solid argon","Nature (London)","1956","178","","483","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541571","5.41","","5.41","","5.41","","90","","90","","90","","158.34","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U O2.34","","- O2.34 U -","- O2.34 U -","- O9.36 U4 -","4","0.0208333","","Gronvold, F.; Haraldsen, H.","Oxidation of Uranium Dioxide (U O2)","Nature (London)","1948","162","","69","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541642","4.24","","4.24","","4.24","","90","","90","","90","","76.225","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co O -","- Co O -","- Co4 O4 -","4","0.0208333","","Redman, M.J.; Steward, E.G.","Cobaltous Oxide with the Zinc Blende / Wurtzite-type Crystal Structure","Nature (London)","1962","193","","867","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541644","7.89","","7.89","","7.89","","90","","90","","90","","491.169","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca Sn O3","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca8 O24 Sn8 -","8","0.0416667","","Rooksby, H.P.","Compounds of the Structural Type of Calcium Titanate","Nature (London)","1945","155","","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541662","4.258","","4.258","","4.258","","90","","90","","90","","77.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Co O -","- Co O -","- Co4 O4 -","4","0.0208333","","Tombs, N.C.; Rooksby, H.P.","Structure of Monoxides of some Transition Elements at Low Temperatures","Nature (London)","1950","165","","442","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541665","5.465","","5.465","","5.465","","90","","90","","90","","163.219","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U O2","","- O2 U -","- O2 U -","- O8 U4 -","4","0.0208333","","Wasserstein, B.","Cube-edges of uraninites as a criterion of age","Nature (London)","1951","168","","380","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541697","20.12","","20.12","","13.44","","90","","90","","90","","5440.71","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","Na8 (Al8 Si88 O192) (H2 O)16","","- Al7.9968 O192 Si88.0032 -","- Al7.9968 O192 Si88.0032 -","- Al7.9968 O192 Si88.0032 -","1","0.0625","","Kokotailo, G.T.; Meier, W.M.; Chu, P.A.; Lawton, S.L.","Synthesis and structure of synthetic zeolite ZSM-11","Nature (London)","1978","275","","119","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","173127","2020-10-21","18:00:00",""
"1541726","4.55","","4.55","","4.55","","90","","90","","90","","94.196","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- B P -","- B P -","- B4 P4 -","4","0.0416667","","Popper, P.; Ingles, T.A.","Boron Phosphide, a III - V Compound of Zinc-Blende Structure","Nature (London)","1957","179","","1075","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541819","5.88","","5.88","","32.84","","90","","90","","120","","983.305","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Fe18 O27 -","- Ba Fe18 O27 -","- Ba2 Fe36 O54 -","2","0.0833333","","Braun, P.B.","Crystal structure of Ba Fe18 O27","Nature (London)","1952","170","","708","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541821","7.77","","7.77","","7.77","","90","","90","","90","","469.097","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","","Broadley, J.S.; Robertson, J.M.","Structure of dinitrogen tetroxide","Nature (London)","1949","164","","915","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","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",""
"1541974","20.83","","21.76","","11.41","","90","","90","","90","","5171.71","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","(Sn I4) (S8)2","","- I4 S16 Sn -","- I4 S16 Sn -","- I32 S128 Sn8 -","8","0.5","","Hawes, L.L.","A semi-bonded compound in series Sn I4 S8","Nature (London)","1962","196","","766","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541990","3.76","","3.76","","3.76","","90","","90","","90","","53.157","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ca.96 Mn.32 Si.64 O2.56","","- Ca0.96 Mn0.32 O2.56 Si0.64 -","- Ca0.96 Mn0.32 O2.58 Si0.64 -","- Ca0.96 Mn0.32 O2.58 Si0.64 -","1","0.0208333","","Goldschmidt, H.J.; Rait, J.R.","Silicates of the Perovskite Type of Structure","Nature (London)","1943","152","","356","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","173884","2020-10-21","18:00:00",""
"1542127","10.4","","10.8","","12.75","","90","","90","","90","","1432.08","","","","","","","","","","","","","4","C m c e","-C 2ac 2","64","","(N H4) (P O3)","","- H4 N O3 P -","- H4 N O3 P -","- H64 N16 O48 P16 -","16","1","","Ketelaar, J.A.A.; MacGillavry, C.H.","Crystal structure of ammonium tetrametaphosphate","Nature (London)","1949","164","","960","961","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542141","5.599","","5.599","","5.599","","90","","90","","90","","175.522","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Pb Cl3","","- Cl3 Cs Pb -","- Cl3 Cs Pb -","- Cl3 Cs Pb -","1","0.0208333","","Moller, C.K.","A Phase Transition in Cesium Plumbochloride","Nature (London)","1957","180","","981","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542142","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Pb Cl3","","- Cl3 Cs Pb -","- Cl3 Cs Pb -","- Cl3 Cs Pb -","1","0.0208333","","Moller, C.K.","The structure of perovskite-like cesium plumbo trihalides","Nature (London)","1958","182","","1436","1436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544344","10.40583","0.00011","12.89952","0.00011","6.29933","0.00006","90","","90","","90","","845.56","0.014","","","","","","","","","","","","3","I m m a","-I 2b 2","74","alpha-CrPO4, J. P. Attfield et al., Na","","","- Cr O4 P -","- Cr O4 P -","- Cr12 O48 P12 -","12","0.75","","Attfield, J.P.; Sleight, A.W.; Cheetham, A.K.","Structure determination of alpha-CrPO4 from powder synchrotron X-ray data","Nature","1986","322","","620","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","187513","2020-10-21","18:00:00",""
"1544550","7.5636","0.0001","8.0795","0.0001","5.0117","0.0001","90","","104.47","0.01","90","","296.55","0.016","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","FeAsO4","","","- As Fe O4 -","- As Fe O4 -","- As4 Fe4 O16 -","4","1","","Cheetham, A.K.; David, W.I.F.; Eddy, M.M.; Jakeman, R.J.B.; Johnson, M.W.; Torardi, C.C.","Crystal structure determination by powder neutron diffraction at the spallation neutron source, ISIS","Nature","1986","320","","46","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","188433","2020-10-21","18:00:00",""
"1545646","8.0947","0.0002","10.0336","0.0002","7.6711","0.0002","90","","111.392","0.002","90","","580.12","0.03","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ga2 H11 O13 P3 -","- D11 Ga2 O13 P3 -","- D22 Ga4 O26 P6 -","2","1","","Morris, Russell E.; Harrison, William T. A.; Nicol, Jacqueline M.; Wilkinson, Angus P.; Cheetham, Anthony K.","Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction","Nature","1992","359","","519","522","10.1038/359519a0","powder diffraction","x-ray","1.29915","synchrotron","","","","","","","","0.0291","","","","","","","","","has coordinates","194479","2020-10-21","18:00:00",""
"1546303","52.712","","52.712","","52.712","","90","","90","","90","","146463","","","","293","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- F96 Ga384 O1584 P384 -","- F96 Ga384 O1584 P384 -","- F192 Ga768 O3168 P768 -","2","0.0104167","","Estermann, M.; McCusker, L. B.; Baerlocher, C.; Merrouche, A.; Kessler, H.","A synthetic gallophosphate molecular sieve with a 20-tetrahedral-atom pore opening","Nature","1991","352","","320","323","10.1038/352320a0","","x-ray","0.71073","MoKα","","","0.087","","","0.076","","","","","","","","","","","has coordinates","197765","2020-10-21","18:00:00",""
"1547152","7.4937","0.0002","9.0345","0.0002","21.4487","0.0005","90","","90","","90","","1452.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","John A. Enquist Jr; Brian M. Stoltz","The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation","Nature","2008","453","","1228","1231","10.1038/nature07046","","","1.54178","CuKα","","0.0391","0.0335","","","0.0669","0.0686","","","","","","1.394","","","","has coordinates","200832","2020-10-21","18:00:00",""
"1548527","9.4094","0.0003","11.7301","0.0003","9.5007","0.0006","90","","99.289","0.007","90","","1034.87","0.08","","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N3 O7 -","- C19 H22 F3 N3 O7 -","- C38 H44 F6 N6 O14 -","2","1","","Brendan T. Parr; Christos Economou; Seth B. Herzon","A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials","Nature","2015","525","","507","510","10.1038/nature14902","","x-ray","0.71075","MoKα","","0.0573","0.051","","","0.0721","0.0736","","","","","","1.162","","","","has coordinates","204446","2020-10-21","18:00:00",""
"1551264","9.6261","0.0006","9.0444","0.0005","11.6284","0.001","90","","112.735","0.008","90","","933.73","0.12","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn-GGH","","- C12.73 H19.38 N5.91 O4.91 Zn -","- C12.73 H19.37 N5.91 O4.91 Zn -","- C25.46 H38.74 N11.82 O9.82 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.0788","0.0598","","","0.1535","0.1647","","","","","","1.052","","","","has coordinates,has disorder","215743","2020-10-21","18:00:00",""
"1551265","9.5645","0.0005","9.0405","0.0005","10.4571","0.001","90","","105.264","0.008","90","","872.31","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1564","0.0964","","","0.2043","0.2393","","","","","","1.038","","","","has coordinates","215744","2020-10-21","18:00:00",""
"1551266","9.5895","0.0002","9.0619","0.0002","11.112","0.0004","90","","106.403","0.003","90","","926.32","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13.73 H21.7 N6.24 O5.24 Zn -","- C13.729 H21.701 N6.243 O5.243 Zn -","- C27.458 H43.402 N12.486 O10.486 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0417","0.0384","","","0.1","0.1023","","","","","","1.063","","","","has coordinates,has disorder","215745","2020-10-21","18:00:00",""
"1551267","9.6138","0.001","9.102","0.0008","20.131","0.003","90","","99.356","0.012","90","","1738.1","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N10 O8 Zn2 -","- C20 H26 N10 O8 Zn2 -","- C40 H52 N20 O16 Zn4 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","","0.71073","MoKα","","0.1068","0.0783","","","0.1849","0.2034","","","","","","1.06","","","","has coordinates","215746","2020-10-21","18:00:00",""
"1551268","9.5741","0.0003","9.055","0.0002","20.4299","0.0007","90","","94.87","0.003","90","","1764.75","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N5 O5 Zn -","- C11 H16 N5 O5 Zn -","- C44 H64 N20 O20 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.1115","0.1178","","","","","","1.002","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1551269","9.6206","0.0016","9.0406","0.0012","20.395","0.005","90","","95.22","0.02","90","","1766.5","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C40 H52 N20 O16 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1467","0.0958","","","0.2322","0.261","","","","","","1.025","","","","has coordinates,has disorder","215748","2020-10-21","18:00:00",""
"1551270","9.6861","0.0004","8.9799","0.0003","11.4935","0.0006","90","","106.106","0.005","90","","960.47","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 N6 O8 Zn -","- C13 H26 N6 O8 Zn -","- C26 H52 N12 O16 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0958","0.101","","","","","","1.051","","","","has coordinates","215749","2020-10-21","18:00:00",""
"1551271","9.5727","0.001","9.023","0.0005","11.7432","0.0014","90","","113.377","0.013","90","","931.05","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N5 O6 Zn -","- C15 H17 N5 O6 Zn -","- C30 H34 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.074","0.0589","","","0.1394","0.1489","","","","","","1.054","","","","has coordinates","215750","2020-10-21","18:00:00",""
"1551272","9.5538","0.0004","8.7322","0.0004","11.8097","0.0006","90","","110.473","0.005","90","","923","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N5 O6 Zn -","- C15 H19 N5 O6 Zn -","- C30 H38 N10 O12 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0495","0.0406","","","0.0956","0.1","","","","","","1.062","","","","has coordinates","215751","2020-10-21","18:00:00",""
"1551273","9.5309","0.0006","9.0153","0.0005","11.0339","0.001","90","","108.349","0.008","90","","899.87","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N5 O5 Zn -","- C14 H21 N5 O5 Zn -","- C28 H42 N10 O10 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1222","0.0726","","","0.1095","0.1248","","","","","","1.017","","","","has coordinates","215752","2020-10-21","18:00:00",""
"1551274","7.2589","0.0008","9.1136","0.0006","19.0252","0.0011","90","","90.887","0.007","90","","1258.46","0.18","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N5 O4.5 Zn -","- C10 H14 N5 O4.5 Zn -","- C40 H56 N20 O18 Zn4 -","4","2","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.1537","0.0809","","","0.1752","0.2106","","","","","","1.02","","","","has coordinates","215753","2020-10-21","18:00:00",""
"1551275","9.5615","0.001","9.0515","0.0013","10.4586","0.0015","90","","105.318","0.014","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H19 N5 O5 S Zn -","- C12 H19 N5 O5 S Zn -","- C24 H38 N10 O10 S2 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","0.71073","MoKα","","0.0852","0.0682","","","0.1674","0.1784","","","","","","1.049","","","","has coordinates","215754","2020-10-21","18:00:00",""
"1551276","9.602","0.004","9.035","0.003","11.675","0.006","90","","112.41","0.05","90","","936.4","0.8","240","0.1","240","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 Zn -","- C10 H13 N5 O4 Zn -","- C20 H26 N10 O8 Zn2 -","2","1","","Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky","Chemical control of structure and guest uptake by a conformationally mobile porous material","Nature","2019","565","","213","217","10.1038/s41586-018-0820-9","","x-ray","1.54184","CuKα","","0.1664","0.1235","","","0.3175","0.3551","","","","","","1.218","","","","has coordinates","215755","2020-10-21","18:00:00",""
"1566646","8.304","","8.304","","4.024","","90","","90","","90","","277.481","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","ice XII","","- D2 O -","- D2 O -","- D24 O12 -","12","0.75","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The structure of a new phase of ice","Nature","1998","391","","268","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273840","2022-03-20","06:49:24",""
"1566651","17.124","0.0003","17.124","0.0003","17.124","0.0003","90","","90","","90","","5021.29","0.15","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- D2 O -","- D2 O -","- D272 O136 -","136","0.708333","","Falenty, A.; Hansen, T. C.; Kuhs, W. F.","Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate","Nature","2014","516","","231","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273845","2022-03-20","08:25:05",""
"1568136","11.232","0.0016","11.232","0.0016","4.0301","0.0008","90","","90","","90","","508.43","0.14","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.39 O Se4 -","- Cu4 Na4.39 O Se4 -","- Cu8 Na8.78 O2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.051","0.0384","","","0.0856","0.0879","","","","","","0.884","","","","has coordinates","279962","2022-12-21","12:56:44",""
"1568137","15.772","0.003","4.0654","0.0008","20.828","0.004","90","","110.33","0.03","90","","1252.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu11.19 Na10.21 O2 Se10 -","- Cu11.192 Na10.2 O2 Se10 -","- Cu22.384 Na20.4 O4 Se20 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1279","0.0308","","","0.0496","0.0594","","","","","","0.492","","","","has coordinates","279963","2022-12-21","12:58:38",""
"1568138","15.714","0.003","4.0699","0.0008","11.643","0.002","90","","93.15","0.03","90","","743.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.7 Na5.3 O Se6 -","- Cu7.71 Na5.25 O Se6 -","- Cu15.42 Na10.5 O2 Se12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1167","0.0458","","","0.1011","0.1332","","","","","","0.742","","","","has coordinates","279964","2022-12-21","12:59:51",""
"1568139","10.9081","0.0015","10.9081","0.0015","3.886","0.0008","90","","90","","90","","462.38","0.13","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.55 O S4 -","- Cu4 Na4.54 O S4 -","- Cu8 Na9.08 O2 S8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0641","0.025","","","0.0274","0.0311","","","","","","0.485","","","","has coordinates","279965","2022-12-21","13:01:02",""
"1568140","3.936","0.0006","3.936","0.0006","22.003","0.004","90","","90","","120","","295.2","0.08","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu3 Na S2 -","- Cu3 Na S2 -","- Cu9 Na3 S6 -","3","0.0833333","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1067","0.0677","","","0.1626","0.169","","","","","","0.901","","","","has coordinates","279966","2022-12-21","13:04:43",""
"1568141","20.388","0.004","7.7841","0.0016","15.311","0.003","90","","110.9","0.03","90","","2270","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu11.4 Na9.74 O2 S10 -","- Cu11.402 Na9.744 O2 S10 -","- Cu45.608 Na38.976 O8 S40 -","4","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.145","0.0317","","","0.071","0.1091","","","","","","0.507","","","","has coordinates","279967","2022-12-21","13:06:11",""
"1568142","15.278","0.003","3.9247","0.0008","11.324","0.002","90","","91.89","0.03","90","","678.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.43 Na5.34 O S6 -","- Cu7.42 Na5.3333 O S6 -","- Cu14.84 Na10.6666 O2 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.228","0.0711","","","0.1555","0.2104","","","","","","0.533","","","","has coordinates","279968","2022-12-21","13:07:37",""
"1568143","12.335","0.002","12.335","0.002","4.433","0.0008","90","","90","","90","","674.5","0.2","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu3.52 K4.33 O0.88 Se4 -","- Cu3.508 K4.35 O0.86 Se4 -","- Cu7.016 K8.7 O1.72 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0489","0.0385","","","0.091","0.097","","","","","","1.143","","","","has coordinates","279969","2022-12-21","13:09:55",""
"1568144","7.0555","0.0014","4.0808","0.0008","7.9345","0.0016","90","","108.39","0.03","90","","216.78","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu2.78 Na0.84 Se2 -","- Cu2.78 Na0.83 Se2 -","- Cu5.56 Na1.66 Se4 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1577","0.1039","","","0.2562","0.2881","","","","","","0.938","","","","has coordinates","279970","2022-12-21","13:11:55",""
"1568145","3.9745","0.0006","3.9745","0.0006","6.548","0.0013","90","","90","","90","","103.44","0.03","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.59 Li0.42 Na S -","- Cu0.58 Li0.42 Na S -","- Cu1.16 Li0.84 Na2 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0968","0.0789","","","0.1923","0.1975","","","","","","1.123","","","","has coordinates,has disorder","279971","2022-12-21","13:13:37",""
"1568146","4.1307","0.0011","4.1307","0.0011","6.815","0.002","90","","90","","90","","116.28","0.06","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.65 Li0.35 Na Se -","- Cu0.62 Li0.38 Na Se -","- Cu1.24 Li0.76 Na2 Se2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0996","0.0646","","","0.143","0.1565","","","","","","0.646","","","","has coordinates,has disorder","279972","2022-12-21","16:02:01",""
"1568147","3.9191","0.0005","3.9191","0.0005","12.677","0.003","90","","90","","90","","194.71","0.06","293","2","293","2","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba Cu1.42 Li0.58 S2 -","- Ba Cu1.418 Li0.582 S2 -","- Ba2 Cu2.836 Li1.164 S4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0315","0.0278","","","0.0635","0.064","","","","","","1.059","","","","has coordinates,has disorder","279973","2022-12-21","16:03:39",""
"1568148","20.247","0.003","20.247","0.003","3.9958","0.0008","90","","90","","90","","1638","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba18 Cu26.92 Na8 O16 S24 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0599","0.0215","","","0.0501","0.0529","","","","","","0.419","","","","has coordinates","279974","2022-12-21","16:04:47",""
"1568149","4.0442","0.0006","4.0442","0.0006","13.357","0.003","90","","90","","90","","218.46","0.07","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba0.44 Cu2.02 Rb0.56 Se2 -","- Ba0.44 Cu2 Rb0.56 Se2 -","- Ba0.88 Cu4 Rb1.12 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0469","0.0362","","","0.0838","0.0843","","","","","","0.831","","","","has coordinates,has disorder","279975","2022-12-21","16:07:35",""
"1568150","7.1315","0.0014","12.365","0.003","14.892","0.003","90","","99.15","0.03","90","","1296.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba1.89 Cu13.92 Na6 S12 -","- Ba1.893 Cu13.943 Na6 S12 -","- Ba3.786 Cu27.886 Na12 S24 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1356","0.0347","","","0.0689","0.077","","","","","","0.476","","","","has coordinates","279976","2022-12-21","16:08:52",""
"1568151","7.2499","0.0003","12.4798","0.0004","8.3691","0.0004","90","","106.647","0.001","90","","725.48","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0221","0.0209","","","0.0543","0.0553","","","","","","1.186","","","","has coordinates","279977","2022-12-21","16:10:11",""
"1568152","22.188","0.002","4.2597","0.0005","17.111","0.0018","90","","91.544","0.003","90","","1616.6","0.3","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba2 Cu2 Na1.24 O1.25 S3 -","- Ba2 Cu2 Na1.234 O1.25 S3 -","- Ba16 Cu16 Na9.872 O10 S24 -","8","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0432","0.0315","","","0.0775","0.0804","","","","","","0.984","","","","has coordinates","279978","2022-12-21","16:11:58",""
"1568153","19.354","0.004","4.2315","0.0009","12.261","0.003","90","","90","","90","","1004.1","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba1.89 Cu5.56 O Se4 -","- Ba1.89 Cu5.476 O Se4 -","- Ba7.56 Cu21.904 O4 Se16 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1819","0.0413","","","0.0864","0.1077","","","","","","0.413","","","","has coordinates","279979","2022-12-21","16:13:02",""
"1568154","4.1491","0.0006","4.1491","0.0006","19.594","0.004","90","","90","","90","","337.31","0.1","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2.8 O2 Se2 -","- Ba2 Cu2.797 O2 Se2 -","- Ba4 Cu5.594 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0355","0.0293","","","0.0689","0.0695","","","","","","0.905","","","","has coordinates","279980","2022-12-21","16:14:45",""
"1568155","4.2049","0.0006","4.2049","0.0006","19.231","0.004","90","","90","","90","","340.03","0.1","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba4 Cu4 Na1.1 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0336","0.0226","","","0.0398","0.0403","","","","","","0.712","","","","has coordinates","279981","2022-12-21","16:15:58",""
"1568156","4.2047","0.0006","4.2047","0.0006","19.346","0.004","90","","90","","90","","342.03","0.1","293","2","293","2","","","","","","","","5","I 4 m m","I 4 -2","107","","","","- Ba1.59 Cu1.92 K0.41 O1.86 Se2 -","- Ba1.632 Cu2 K0.368 O1.94 Se2 -","- Ba3.264 Cu4 K0.736 O3.88 Se4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.033","0.0239","","","0.0546","0.0552","","","","","","1.011","","","","has coordinates,has disorder","279982","2022-12-21","16:18:24",""
"1568157","4.0099","0.0006","4.0099","0.0006","16.532","0.003","90","","90","","90","","265.82","0.07","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba2 Cu1.79 O3 S -","- Ba2 Cu1.79 O3 S -","- Ba4 Cu3.58 O6 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.057","0.0456","","","0.1133","0.1147","","","","","","0.959","","","","has coordinates","279983","2022-12-21","16:19:31",""
"1568158","7.483","0.0002","16.0919","0.0004","4.1041","0.0001","90","","90","","90","","494.2","0.02","100","","100","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 -","- Ba0.634 Cu1.828 K0.866 S0.906 Se1.094 -","- Ba2.536 Cu7.312 K3.464 S3.624 Se4.376 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Sychrotron","","0.0431","0.0385","","","0.1191","0.1226","","","","","","1.143","","","","has coordinates,has disorder","279984","2022-12-21","16:21:17",""
"1568159","12.9183","0.0018","12.9183","0.0018","4.0117","0.0008","90","","90","","90","","669.48","0.19","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cu10 K2 Se6 -","- Cu10 K2 Se6 -","- Cu20 K4 Se12 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0803","0.0308","","","0.0555","0.062","","","","","","0.577","","","","has coordinates","279985","2022-12-21","16:22:25",""
"1568160","10.561","0.0015","10.561","0.0015","3.974","0.0008","90","","90","","90","","443.24","0.13","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Cu6.09 Rb Se4 -","- Cu6.064 Rb Se4 -","- Cu12.128 Rb2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.2478","0.0586","","","0.0815","0.0999","","","","","","0.441","","","","has coordinates","279986","2022-12-21","16:24:02",""
"1568161","12.1735","0.0002","12.1735","0.0002","12.1735","0.0002","90","","90","","90","","1804.04","0.05","273","2","273.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba4 Cu12 Rb6 Se13 -","- Ba4 Cu12 Rb6 Se13 -","- Ba8 Cu24 Rb12 Se26 -","2","0.0416667","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0257","0.0236","","","0.0614","0.0627","","","","","","1.172","","","","has coordinates","279987","2022-12-21","16:28:02",""
"1568162","7.417","0.0015","15.192","0.003","3.9244","0.0008","90","","90","","90","","442.2","0.15","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cu7.66 Na6 Se8 -","- Cu7.656 Na6 Se8 -","- Cu7.656 Na6 Se8 -","1","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1204","0.0378","","","0.051","0.0576","","","","","","0.465","","","","has coordinates","279988","2022-12-21","16:28:57",""
"1568163","7.2523","0.0002","12.4863","0.0003","8.3687","0.0002","90","","106.661","0.001","90","","726.01","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0182","0.0177","","","0.044","0.0449","","","","","","1.082","","","","has coordinates","279989","2022-12-21","16:30:23",""
"1570725","17.264","0.003","8.1402","0.0012","8.3591","0.0012","90","","99.694","0.005","90","","1158","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[bis((3-chlorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Cl2 Ge I4 N2 -","- C14 H18 Cl2 Ge I4 N2 -","- C28 H36 Cl4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0217","0.0173","","","0.0331","0.0339","","","","","","1.095","","","","has coordinates","288960","2024-01-09","19:16:54",""
"1570726","16.58","0.003","8.1987","0.0012","8.2557","0.0011","90","","98.308","0.004","90","","1110.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[bis((3-fluorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 F2 Ge I4 N2 -","- C14 H18 F2 Ge I4 N2 -","- C28 H36 F4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0567","0.0379","","","0.0818","0.0879","","","","","","1.077","","","","has coordinates","288961","2024-01-09","19:17:05",""
"1570727","34.5436","0.0018","8.1885","0.0005","8.2783","0.0005","90","","90","","90","","2341.6","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-bromophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Br2 Ge I4 N2 -","- C14 H18 Br2 Ge I4 N2 -","- C56 H72 Br8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0697","0.0517","","","0.0847","0.0892","","","","","","1.359","","","","has coordinates","288962","2024-01-09","19:17:25",""
"1570728","35.387","0.003","8.3595","0.0008","8.5792","0.0008","90","","90","","90","","2537.9","0.4","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis[4-(trifluoromethyl)benzylammonium] bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H16 F6 Ge I4 N2 -","- C16 H16 F6 Ge I4 N2 -","- C64 H64 F24 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0903","0.0582","","","0.1351","0.152","","","","","","1.025","","","","has coordinates","288963","2024-01-09","19:17:35",""
"1570729","11.9349","0.0011","6.0242","0.0006","34.381","0.003","90","","90","","90","","2471.9","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-[bis(2-(4-chlorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]'","","- C16 H22 Cl2 Ge I4 N2 -","- C16 H22 Cl2 Ge I4 N2 -","- C64 H88 Cl8 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0739","0.0392","","","0.0667","0.0767","","","","","","1.005","","","","has coordinates,has disorder","288964","2024-01-09","19:17:46",""
"1570730","34.1352","0.0009","8.1304","0.0002","8.3002","0.0002","90","","90","","90","","2303.58","0.1","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-[bis((4-chlorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Cl2 Ge I4 N2 -","- C14 H18 Cl2 Ge I4 N2 -","- C56 H72 Cl8 Ge4 I16 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0456","0.0412","","","0.1079","0.1111","","","","","","1.061","","","","has coordinates","288965","2024-01-09","19:17:56",""
"1570731","11.971","0.003","11.987","0.003","16.761","0.005","79.689","0.009","84.394","0.009","89.99","0.008","2354.6","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(2-(4-fluorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H22 F2 Ge I4 N2 -","- C16 H22 F2 Ge I4 N2 -","- C64 H88 F8 Ge4 I16 N8 -","4","2","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0877","0.0416","","","0.0764","0.0882","","","","","","0.999","","","","has coordinates","288966","2024-01-09","19:18:06",""
"1570732","16.4276","0.0015","8.2654","0.0008","8.2637","0.0007","90","","98.035","0.003","90","","1111.04","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-[bis((4-fluorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","","- C14 H18 F2 Ge I4 N2 -","- C14 H18 F2 Ge I4 N2 -","- C28 H36 F4 Ge2 I8 N4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0514","0.0306","","","0.0485","0.0524","","","","","","1.04","","","","has coordinates","288967","2024-01-09","19:18:16",""
"1570733","10.5352","0.0003","31.0969","0.0009","5.2099","0.0002","90","","90","","90","","1706.83","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-[bis((4-fluorophenyl)methylammonium) bis(m-chloro)-dichloro-copper(ii)]","","- C14 H18 Cl4 Cu F2 N2 -","- C14 H18 Cl4 Cu F2 N2 -","- C56 H72 Cl16 Cu4 F8 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.54178","CuKα","","0.0351","0.0319","","","0.0815","0.0837","","","","","","1.072","","","","has coordinates","288968","2024-01-09","19:18:26",""
"1570734","8.4111","0.0009","34.575","0.004","8.3164","0.0008","90","","90","","90","","2418.5","0.4","150","2","150","2","","","","","","","","5","C c c 2","C 2 -2c","37","","catena-[bis((4-iodophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C14 H18 Ge I6 N2 -","- C14 H18 Ge I6 N2 -","- C56 H72 Ge4 I24 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0533","0.0459","","","0.0949","0.0972","","","","","","1.283","","","","has coordinates","288969","2024-01-09","19:18:36",""
"1570735","17.9943","0.0012","10.2787","0.0008","8.054","0.0006","90","","90","","90","","1489.65","0.19","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(ammoniomethyl)pyridin-1-ium triiodo-germanium(ii) iodide","","- C6 H10 Ge I4 N2 -","- C6 H10 Ge I4 N2 -","- C24 H40 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.1367","0.0974","","","0.2609","0.2835","","","","","","1.153","","","","has coordinates","288970","2024-01-09","19:18:47",""
"1570736","8.2561","0.0003","8.6468","0.0004","27.5966","0.0013","90","","90","","90","","1970.09","0.15","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(butylammonium) triiodo-germanium(ii) iodide","","- C8 H24 Ge I4 N2 -","- C8 H24 Ge I4 N2 -","- C32 H96 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.34139","GaKα","","0.097","0.0623","","","0.1597","0.1768","","","","","","1.035","","","","has coordinates","288971","2024-01-09","19:18:57",""
"1570737","8.4068","0.0003","45.0015","0.0016","8.3314","0.0003","90","","90","","90","","3151.9","0.2","150","","150","","","","","","","","","7","A e m 2","A 2 -2b","39","","catena-[bis((4-chlorophenyl)methanaminium) tetrakis(m-iodo)-triodo-cesium-di-germanium]","","- C14 H18 Cl2 Cs Ge2 I7 N2 -","- C14 H18 Cl2 Cs Ge2 I7 N2 -","- C56 H72 Cl8 Cs4 Ge8 I28 N8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.07","0.0565","","","0.1494","0.1603","","","","","","1.12","","","","has coordinates","288972","2024-01-09","19:19:07",""
"1570738","8.4602","0.001","8.4602","0.001","11.0201","0.0016","90","","90","","120","","683.09","0.15","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Methylammonium tris(iodo)-germanium","","","- C3 H18 Ge3 I9 N3 -","- C2.9997 Ge3 I9 N3 -","- C2.9997 Ge3 I9 N3 -","1","0.0555556","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.068","0.0338","","","0.0472","0.0543","","","","","","1.078","","","","has coordinates","288973","2024-01-09","19:19:18",""
"1570739","8.2572","0.0004","21.5648","0.0008","13.2995","0.0006","90","","96.915","0.002","90","","2350.95","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tetrakis(phenylmethanaminium)tri(iodo)-germanium(II) tetraiodo-germanium(ii)","","- C28 H40 Ge3 I10 N4 -","- C28 H40 Ge3 I10 N4 -","- C56 H80 Ge6 I20 N8 -","2","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0274","0.0235","","","0.0531","0.0539","","","","","","1.048","","","","has coordinates","288974","2024-01-09","19:19:28",""
"1570740","8.1291","0.0006","8.8236","0.0006","25.322","0.002","90","","97.632","0.003","90","","1800.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(2-iodoethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C4 H14 Ge I6 N2 -","- C4 H14 Ge I6 N2 -","- C16 H56 Ge4 I24 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0369","0.0264","","","0.0622","0.065","","","","","","1.039","","","","has coordinates","288975","2024-01-09","19:19:38",""
"1570741","6.2764","0.0002","23.0661","0.0008","6.4271","0.0002","90","","96.433","0.001","90","","924.61","0.05","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(morpholin-4-ium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C8 H20 Ge I4 N2 O2 -","- C8 H20 Ge I4 N2 O2 -","- C16 H40 Ge2 I8 N4 O4 -","2","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","x-ray","1.34139","GaKα","","0.0331","0.0325","","","0.0822","0.0827","","","","","","1.061","","","","has coordinates","288976","2024-01-09","19:19:48",""
"1570742","13.0687","0.001","19.3506","0.0012","6.103","0.0004","90","","90","","90","","1543.37","0.18","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-(bis((2-Hydroxyethyl)ammonium) bis(m-iodo)-di-iodo-germanium(ii))","","- C4 H16 Ge I4 N2 O2 -","- C4 H16 Ge I4 N2 O2 -","- C16 H64 Ge4 I16 N8 O8 -","4","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0237","0.0182","","","0.0325","0.0332","","","","","","1.108","","","","has coordinates","288977","2024-01-09","19:19:58",""
"1570743","11.868","0.0005","11.9612","0.0005","17.2893","0.0008","80.036","0.002","76.75","0.002","89.983","0.002","2350.96","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(2-(4-Hydroxyphenyl)ethanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]","","- C16 H24 Ge I4 N2 O2 -","- C16 H24 Ge I4 N2 O2 -","- C64 H96 Ge4 I16 N8 O8 -","4","2","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0515","0.0344","","","0.096","0.102","","","","","","1.107","","","","has coordinates","288978","2024-01-09","19:20:08",""
"1570744","8.389","0.0008","11.1217","0.0011","14.7309","0.0012","90.206","0.003","104.865","0.003","109.288","0.003","1247.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","catena-[tetrakis(1,3-(propane-1,3-diaminium) bis(m-iodo)-bis(iodo)-germanium(ii)] dihydrate","","- C12 H52 Ge3 I14 N8 O2 -","- C12 H52 Ge3 I14 N8 O2 -","- C12 H52 Ge3 I14 N8 O2 -","1","0.5","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","0.71073","MoKα","","0.0352","0.0236","","","0.0411","0.0426","","","","","","1.06","","","","has coordinates","288979","2024-01-09","19:20:24",""
"5900005","6.13","","6.48","","6.08","","90","","114.55","","90","","219.68","","","","","","","","","","","","","4","P 1 21/m 1","","11","","Ethylnitramine","","- C2 H6 N2 O2 -","","","2","0.5","","","","Nature","1947","160","","826","","10.1038/160826a0","","","","","","","","","","","","","","","","","","","","","","264769","2021-05-03","12:41:22",""
"9009219","6.7416","","6.7416","","4.7079","","90","","90","","120","","185.304","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe5 Si3 -","- Fe10 Si6 -","2","0.0833333","","Weill, A. R.","Structure of the eta phase of the iron-silicon system","Nature","1943","152","","413","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009220","12.4458","","7.2734","","11.3942","","90","","100.533","","90","","1014.06","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Zirconolite","- Ca2 O14 Ti4 Zr2 -","- Ca2 O14 Ti4 Zr2 -","- Ca8 O56 Ti16 Zr8 -","4","0.5","","Rossell, H. J.","Zirconolite - a fluorite-related superstructure Note polytype Zirconolite-2M","Nature","1980","283","","282","283","10.1038/283282a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009221","27.559","","27.559","","10.55","","90","","90","","120","","6939.21","","","","","","","","","","","","Avant's Claim, near Shady, Polk County, Arkansas, USA","5","P 63/m","-P 6c","176","","","Cacoxenite","- Al4 Fe21 H60 O110 P17 -","- Al4 Fe21 H54 O110 P17 -","- Al8 Fe42 H108 O220 P34 -","2","0.166667","","Moore P B; Shen J","An X-ray structural study of cacoxenite, a mineral phosphate","Nature","1983","306","","356","358","10.1038/306356a0","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011574","2.714","","2.714","","4.41","","90","","90","","120","","28.131","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0833333","","Bradley, A. J.; Ollard, E. F.","Allotropy of chromium","Nature","1926","117","","122","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011575","3.56679","","3.56679","","3.56679","","90","","90","","90","","45.377","","","","291.15","","","","","","","","commercial diamond dust sieved to obtain small crystals","1","F d -3 m :1","F 4d 2 3 -1d","227","","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Riley, D. P.","Lattice constant of diamond and the C-C single bond Sample: at T = 18 C","Nature","1944","153","","587","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011576","11.23","","11.23","","10.72","","90","","90","","120","","1170.81","","","","","","","","","","","","Scawt Hill, Northern Ireland","5","P 63/m c m","-P 6c 2","193","","","Ettringite","- Al Ca3 H34 O24.5 S1.5 -","- Al Ca3 H31 O24.5 S1.5 -","- Al2 Ca6 H62 O49 S3 -","2","0.0833333","","Moore, A.; Taylor, H. F. W.","Crystal structure of ettringite","Nature","1968","218","","1048","1049","10.1038/2181048a0","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011577","2.464","","2.464","","6.711","","90","","90","","120","","35.286","","","","","","","","","","","","undefined","1","P 63/m m c","-P 6c 2c","194","","","Graphite","- C -","- C -","- C4 -","4","0.166667","","Trucano, P.; Chen, R.","Structure of graphite by neutron diffraction Note: natural crystals","Nature","1975","258","","136","137","10.1038/258136a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011579","9.418","","8.647","","5.274","","90","","108.13","","90","","408.178","","","","","","","","","","","","Synthetic","4","P 1 2/n 1","-P 2yac","13","","","","- Mg Na2 O12 Si5 -","- Mg Na2 O12 Si5 -","- Mg2 Na4 O24 Si10 -","2","0.5","","Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M.","A silica-rich sodium pyroxene phase with six-coordinated silicon","Nature","1988","335","","156","158","10.1038/335156a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011580","14.04078","","14.04078","","14.04078","","90","","90","","90","","2768.05","","","","5","","","","","","","","Synthetic","1","P a -3","-P 2ac 2ab 3","205","","","Buckminsterfullerene","- C60 -","- C60 -","- C240 -","4","0.166667","","David, W. I. F.; Ibberson, R. M.; Matthewman, J. C.; Prassides, K.; Dennis, T. J. S.; Hare, J. P.; Kroto, H. W.; Taylor, R.; Walton, D. R. M.","Crystal structure and bonding of ordered C60 Sample: at T = 5 K Note: phase: carbon C60","Nature","1991","353","","147","149","10.1038/353147a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011581","9.201","","8.621","","4.908","","90","","101.5","","90","","381.496","","","","","","","","7930000","","","","","3","C 1 2/c 1","-C 2yc","15","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Angel, R. J.; Chopelas, A.; Ross, N. L.","Stability of high-density clinoenstatite at upper-mantle pressures Sample: P = 7.93 GPa","Nature","1992","358","","322","324","10.1038/358322a0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9014578","5.482","","5.482","","5.482","","90","","90","","90","","164.747","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.0208333","","Sandor, E.; Farrow, R. F. C.","Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K","Nature","1967","213","","171","172","10.1038/213171a0","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015375","5.475","","5.475","","5.475","","90","","90","","90","","164.117","","","","","","","","","","","","synthetic, note this is the deuterated structure","2","F m -3 m","-F 4 2 3","225","","","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.0208333","","Sandor, E.; Farrow, R. F. C.","Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K","Nature","1967","213","","171","172","10.1038/213171a0","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016278","9.4","","9.4","","9.4","","94.3","","94.3","","94.3","","823.197","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","Chabazite-Ca","- Al0.32 O2 Si0.68 -","- Al0.32 O2 Si0.68 -","- Al3.84 O24 Si8.16 -","12","1","","Dent, L. S.; Smith, J. V.","Crystal structure of chabazite, a molecular sieve Note: extra-framework cations not located","Nature","1958","181","","1794","1796","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016437","5.053","","5.373","","5.825","","90","","90","","90","","158.147","","","","","","","","","","","","synthetic, note this is the deuterated structure","2","B b 21 m","B -2 -2b","36","","","","- Cl H -","- Cl H -","- Cl4 H4 -","4","0.5","","Sandor, E.; Farrow, R. F. C.","Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K","Nature","1967","213","","171","172","10.1038/213171a0","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""