# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-03T18:57:05+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 145 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
"1000503","3.88","","3.88","","32.39999","","90","","90","","90","","487.8","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Lithium lanthanum niobium titanium oxide","","- La2.25 Li2 Nb1.25 O13 Ti2.75 -","- La2.25 Li2 Nb1.25 O13 Ti2.75 -","- La4.5 Li4 Nb2.5 O26 Ti5.5 -","2","0.0625","","Crosnier-Lopez, M P; Bhuvanesh, N S P; Duroy, H; Fourquet, J L","Irreversible electron-induced structural change during HREM imaging in lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x) Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)","Journal of Solid State Chemistry","1999","145","","136","149","10.1006/jssc.1999.8232","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004147","15.478","0.01","3.644","0.005","10.123","0.006","90","","109.29","0.01","90","","538.9","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead vanadium oxide (0.3/2/5) - $-beta","","- O5 Pb0.3 V2 -","- O5 Pb0.300667 V2 -","- O30 Pb1.804 V12 -","6","0.75","","Mentre, O; Huve, M; Abraham, F","Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes","Journal of Solid State Chemistry","1999","145","","186","196","10.1006/jssc.1999.8241","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004148","15.478","0.01","7.288","0.005","10.123","0.006","90","","109.29","0.01","90","","1077.8","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lead vanadium oxide (0.3/2/5) - $-beta","","- O5 Pb0.304 V2 -","- O5 Pb0.304 V2 -","- O60 Pb3.648 V24 -","12","3","","Mentre, O; Huve, M; Abraham, F","Bidimensional cationic ordering and thermal dependence in $-beta- Pb(x) V2 O5 bronzes","Journal of Solid State Chemistry","1999","145","","186","196","10.1006/jssc.1999.8241","","","","","","0.047","","","","","","","","","","","","","","","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",""
"1509221","11.0684","","12.3127","","5.9109","","90","","90","","90","","805.549","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag Ba (P O3)3","","- Ag Ba O9 P3 -","- Ag Ba O9 P3 -","- Ag4 Ba4 O36 P12 -","4","1","","Aouad, H.; Tanguy, B.; Maazaz, M.; Parent, C.; Gravereau, P.; Belharouak, I.; Mesnaoui, M.; le Flem, G.","Crystal structure and luminescence properties of silver in Ag M (P O3)3 (M = Mg, Zn, Ba) polyphosphates","Journal of Solid State Chemistry","1999","145","","97","103","10.1006/jssc.1999.8227","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509458","13.888","","10.7302","","9.97301","","90","","90","","90","","1486.19","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Ag Mg (P O3)3","","- Ag Mg O9 P3 -","- Ag Mg O9 P3 -","- Ag8 Mg8 O72 P24 -","8","1","","Maazaz, M.; Belharouak, I.; Tanguy, B.; Aouad, H.; Gravereau, P.; le Flem, G.; Mesnaoui, M.; Parent, C.","Crystal structure and luminescence properties of silver in Ag M (P O3)3 (M= Mg, Zn, Ba) polyphosphates","Journal of Solid State Chemistry","1999","145","","97","103","10.1006/jssc.1999.8227","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509550","4.792","","4.792","","10.873","","90","","90","","120","","216.229","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Yb Ag Sn","","- Ag Sn Yb -","- Ag Sn Yb -","- Ag3 Sn3 Yb3 -","3","0.25","","Kuennen, B.; Poettgen, R.; Kotzyba, G.; Kussmann, D.; Felser, C.; Mosel, B.D.; Arpe, P.E.; Muellmann, R.","Structure and Properties of YbZnSn, YbAgSn, and Yb2Pt2Pb","Journal of Solid State Chemistry","1999","145","","668","677","10.1006/jssc.1998.8280","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510218","3.877","","3.877","","3.877","","90","","90","","90","","58.276","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Au0.5 Cu0.49 Fe0.01)","","- Au0.5 Cu0.49 Fe0.01 -","- Au0.5 Cu0.49 Fe0.01 -","- Au2 Cu1.96 Fe0.04 -","4","0.0208333","","Heck, T.; Finkler, D. K. H.; Campbell, S. C.; Maurer, A. E.; Gonser, U.","Precission determination of the lattice parameters of Cu Au Fe alloys","Physica B+C","1987","145","3","335","341","10.1016/0378-4363(87)90101-X","","","","","","","","","","","","","","","","","","","","","has coordinates","174784","2020-10-21","18:00:00",""
"1510480","15.016","","15.016","","4.579","","90","","90","","120","","894.149","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sr2 Au2.85 In4.15","","- Au2.85 In4.15 Sr2 -","- Au2.8455 In4.1545 Sr2 -","- Au11.382 In16.618 Sr8 -","4","0.333333","","Rosenhahn, C.; Kotzyba, G.; Poettgen, R.; Mosel, B.D.; Kuennen, B.; Hoffmann, R.D.","Structure and Properties of Sr2Au3In4 and Eu2Au3In4","Journal of Solid State Chemistry","1999","145","","283","290","10.1006/jssc.1999.8265","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510494","14.897","","14.897","","4.549","","90","","90","","120","","874.267","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Eu2 Au3 In4","","- Au3 Eu2 In4 -","- Au3 Eu2 In4 -","- Au12 Eu8 In16 -","4","0.333333","","Mosel, B.D.; Kuennen, B.; Hoffmann, R.D.; Rosenhahn, C.; Kotzyba, G.; Poettgen, R.","Structure and Properties of Sr2Au3In4 and Eu2Au3In4","Journal of Solid State Chemistry","1999","145","","283","290","10.1006/jssc.1999.8265","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510878","9.411","","9.411","","17.481","","90","","90","","120","","1340.81","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Yb (B O3)3","","- B3 Ba3 O9 Yb -","- B3 Ba3 O9 Yb -","- B18 Ba18 O54 Yb6 -","6","0.5","","Khamaganova, T.N.; Bazarova, Zh.G.; Kuperman, N.M.","The double borates Ba3 Ln (B O3)3, Ln = La-Lu, Y","Journal of Solid State Chemistry","1999","145","","33","36","10.1006/jssc.1999.8163","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513337","7.297","","11.698","","11.498","","90","","90.93","","90","","981.344","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Pb O)4 (Pb (S O4))","","- O8 Pb5 S -","- O8 Pb5 S -","- O32 Pb20 S4 -","4","1","","Steele, I.M.; Pluth, J.J.","Crystal structure of tetrabasic lead sulfate (4(Pb O).(Pb S O4))","Journal of the Electrochemical Society","1998","145","","528","533","10.1149/1.1838298","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515891","21.659","0.013","23.21","0.019","26.022","0.014","90","","100.67","0.05","90","","12855","15","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4 -","- C196 H184 Cl8 F12 N8 O20 P8 Pd4 S4 -","- C392 H368 Cl16 F24 N16 O40 P16 Pd8 S8 -","2","0.5","","Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M.","Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis","Faraday Discussions","2010","145","","27","","10.1039/b910022a","","","0.71073","MoKα","","0.1076","0.0824","","","0.2369","0.2667","","","","","","0.96","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1520881","9.4","","9.4","","20.2","","90","","90","","120","","1545.74","","","","","","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","Sr5 Co4 O12","","- Co4 O12 Sr5 -","- Co4 O12 Sr5 -","- Co24 O72 Sr30 -","6","1","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.","The An+2 Bn B' O3n+3 family (B = B' = Co): ordered intergrowth between 2h-(Ba Co O3) and Ca3 Co2 O6 structures","Journal of Solid State Chemistry","1999","145","","116","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","140444","2020-10-21","18:00:00",""
"1521136","5.2432","","5.052","","8.8432","","90","","90","","90","","234.244","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Co (Te Mo O6)","","- Co Mo Te -","- Co Mo Te -","- Co2 Mo2 Te2 -","2","0.5","","Hayashi, H.; Kokawa, N.; Moriga, T.; Koto, K.; Sugiyama, S.","The Rietveld analysis of crystal structure of an additive telluromolybdate Co Te Mo O6","Journal of Molecular Catalysis","1999","145","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521323","3.82428","","3.82428","","12.4283","","90","","90","","90","","181.765","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La Sr Ni O3.914","","- La Ni O3.914 Sr -","- La Ni O3.914 Sr -","- La2 Ni2 O7.828 Sr2 -","2","0.0625","","Millburn, J.E.; Rosseinsky, M.J.; Green, M.A.; Neumann, D.A.","Evolution of the structure of the K2 Ni F4 phases La2-x Srx Ni O4+d with oxidation state: octahedral distortion and phase separation (0.2 < x < 1.0)","Journal of Solid State Chemistry","1999","145","","401","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521324","3.8268","","3.8268","","12.7086","","90","","90","","90","","186.11","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.67 Sr0.33) Ni O4","","- La1.67 Ni O4 Sr0.33 -","- La1.666 Ni O4 Sr0.334 -","- La3.332 Ni2 O8 Sr0.668 -","2","0.0625","","Millburn, J.E.; Green, M.A.; Neumann, D.A.; Rosseinsky, M.J.","Evolution of the structure of the K2 Ni F4 phases La2-x Srx Ni O4+d with oxidation state: octahedral distortion and phase separation (0.2 < x < 1.0)","Journal of Solid State Chemistry","1999","145","","401","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521325","3.8144","","3.8144","","12.5597","","90","","90","","90","","182.739","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.2 Sr0.8) Ni O4","","- La1.2 Ni O4 Sr0.8 -","- La1.2 Ni O4 Sr0.8 -","- La2.4 Ni2 O8 Sr1.6 -","2","0.0625","","Millburn, J.E.; Rosseinsky, M.J.; Green, M.A.; Neumann, D.A.","Evolution of the structure of the K2 Ni F4 phases La2-x Srx Ni O4+d with oxidation state: octahedral distortion and phase separation (0.2 < x < 1.0)","Journal of Solid State Chemistry","1999","145","","401","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522404","4.264","","4.264","","4.264","","90","","90","","90","","77.527","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.08 Ti0.092 V0.828)","","- Fe0.08 Ti0.092 V0.828 -","- Fe0.08 Ti0.092 V0.828 -","- Fe0.32 Ti0.368 V3.312 -","4","0.0208333","","Lynch, F.J.; Maeland, A.J.; Libowitz, G.G.","Lattice parameter variation and thermodynamics of dihydride formation in the vanadium-rich V-Ti-Fe/H2 system","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1985","145","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","142627","2020-10-21","18:00:00",""
"1522405","3.04","","3.04","","3.04","","90","","90","","90","","28.094","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Fe0.1 Ti0.18 V0.72)","","- Fe0.1 Ti0.18 V0.72 -","- Fe0.1 Ti0.18 V0.72 -","- Fe0.2 Ti0.36 V1.44 -","2","0.0208333","","Lynch, F.J.; Maeland, A.J.; Libowitz, G.G.","Lattice parameter variation and thermodynamics of dihydride formation in the vanadium-rich V-Ti-Fe/H2 system","Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)","1985","145","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","142628","2020-10-21","18:00:00",""
"1556851","5.512","0.0003","27.2877","0.0014","16.0208","0.0008","90","","90","","90","","2409.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O S2 -","- C29 H31 N O S2 -","- C116 H124 N4 O4 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.07","0.0399","","","0.0835","0.0896","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556852","11.4995","0.0019","13.626","0.002","14.631","0.003","79.476","0.004","69.652","0.004","70.613","0.003","2021.8","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O S3 -","- C21 H24 N2 O S3 -","- C84 H96 N8 O4 S12 -","4","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.1852","0.1091","","","0.2266","0.2666","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556853","25.8366","0.0002","25.8366","0.0002","25.8366","0.0002","90","","90","","90","","17246.7","0.2","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","EJAntraL/DCM+AgClO4/MeOH->Layer","","","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C174 H186 Ag6 Cl6 N6 O30 S12 -","- C696 H744 Ag24 Cl24 N24 O120 S48 -","4","0.166667","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKa","","0.2838","0.1332","","","0.3994","0.4934","","","","","","1.017","","","","has coordinates,has disorder","248793","2020-10-21","18:00:00",""
"1556854","27.888","0.003","14.9539","0.0016","7.2021","0.0008","90","","95.118","0.002","90","","2991.5","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C22 H26 Ag Cl2 F6 N2 O P S3 -","- C88 H104 Ag4 Cl8 F24 N8 O4 P4 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0471","0.044","","","0.1225","0.1246","","","","","","1.063","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556855","12.902","0.003","21.339","0.004","11.771","0.002","90","","116.33","0.03","90","","2904.5","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 Hg N2 O10 S3 -","- C24 H30 Cl2 Hg N2 O10 S3 -","- C96 H120 Cl8 Hg4 N8 O40 S12 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0524","0.046","","","0.127","0.1309","","","","","","1.045","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556856","10.0374","0.0015","31.171","0.006","8.3311","0.0014","90","","90","","90","","2606.6","0.8","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C21 H24 Hg I2 N2 O S3 -","- C21 H24 Hg I2 N2 O S3 -","- C84 H96 Hg4 I8 N8 O4 S12 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.","The Analyst","2020","145","5","1667","1676","10.1039/c9an02466b","","","0.71073","MoKα","","0.0349","0.0345","","","0.1024","0.1028","","","","","","1.024","","","","has coordinates","248793","2020-10-21","18:00:00",""
"1556899","13.0353","0.0006","18.6391","0.0009","19.8731","0.001","108.331","0.003","108.152","0.003","101.306","0.003","4117.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","- C144 H300 Ni6 S12 -","1","0.5","","Zhuang, Zhihua; Chen, Wei","One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid.","The Analyst","2020","145","7","2621","2630","10.1039/c9an01947b","","","1.54178","CuKα","","0.1673","0.0723","","","0.1848","0.2606","","","","","","0.832","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1557733","11.944","0.004","12.209","0.005","12.69","0.005","108.719","0.008","99.862","0.008","107.399","0.008","1597.6","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 Cu N3 O15 S -","- C25 H35 Cu N3 O15 S -","- C50 H70 Cu2 N6 O30 S2 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","250125","2020-10-21","18:00:00",""
"1557734","11.3364","0.0011","22.492","0.002","24.752","0.002","66.251","0.002","88.427","0.002","82.262","0.002","5721.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H68 Cu4 N12 O18 S2 -","- C96 H68 Cu4 N12 O18 S2 -","- C192 H136 Cu8 N24 O36 S4 -","2","1","","Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua","Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.","The Analyst","2020","145","7","2779","2788","10.1039/d0an00002g","","","0.71073","MoKα","","0.1733","0.1252","","","0.3449","0.3723","","","","","","1.058","","","","has coordinates,has disorder","250125","2020-10-21","18:00:00",""
"1559169","7.5919","0.0002","32.0914","0.0006","21.403","0.0005","90","","90","","90","","5214.5","0.2","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C208 H224 N16 O16 Si8 -","8","2","","Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru","A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions.","The Analyst","2020","145","23","7736","7740","10.1039/d0an01739f","","","1.54178","","","0.0598","0.0591","","","0.1614","0.1621","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1566649","6.23416","0.00006","6.21697","0.00007","5.83377","0.00006","90.033","0.005","89.922","0.003","89.999","0.006","226.103","0.004","","","","","","","","","","","","2","P -1","-P 1","2","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","5","","Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J.","Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition","The Journal of Chemical Physics","2016","145","","204501","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273843","2022-03-20","07:55:07",""
"2000113","14.503","0.001","12.267","0.001","22.202","0.002","90","","100.867","0.006","90","","3879.09","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H86 Cd4 Mo12 N4 O72 P8 -","- C16 Cd11 Mo24 N4 O146 P16 -","- C32 Cd22 Mo48 N8 O292 P32 -","2","0.5","","Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.","Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters","Journal of Solid State Chemistry","1999","145","1","291","301","10.1006/jssc.1999.8268","","","","","","","0.057","","","0.057","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000114","15.123","0.001","12.305","0.001","19.264","0.002","90","","98.62","0.008","90","","3544.32","","","","","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H90 Cd2 Mo12 N4 O72 P8 -","- C8 Cd7 Mo12 N2 O79 P8 -","- C16 Cd14 Mo24 N4 O158 P16 -","2","1","","Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.","Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters","Journal of Solid State Chemistry","1999","145","1","291","301","10.1006/jssc.1999.8268","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000115","11.82","0.001","13.248","0.001","14.794","0.001","68.593","0.006","82.067","0.007","87.372","0.008","2136.13","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H98.6 Cd3 Mo12 N6 O73.3 P8 -","- C32 Cd9 Mo24 N8 O140 P16 -","- C32 Cd9 Mo24 N8 O140 P16 -","1","0.5","","Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.","Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters","Journal of Solid State Chemistry","1999","145","1","291","301","10.1006/jssc.1999.8268","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000116","11.535","0.001","14.344","0.001","14.5","0.002","67.772","0.008","71.517","0.009","76.728","0.007","2089.8","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H58 Mo12 N2 O74 P8 Zn3 -","- C16 Mo24 N4 O144 P16 Zn9 -","- C16 Mo24 N4 O144 P16 Zn9 -","1","0.5","","Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.","Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters","Journal of Solid State Chemistry","1999","145","1","291","301","10.1006/jssc.1999.8268","","","","","","","0.055","","","0.055","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"5000043","9.502","","11.974","","3.24","","90","","98.75","","90","","364.3","","","","","","","","","","","","natural","4","P 1 21/a 1","-P 2yab","14","","Dicopper dihydroxide carbonate","Malachite","- C H2 Cu2 O5 -","- C H2 Cu2 O5 -","- C4 H8 Cu8 O20 -","4","1","","Zigan, F; Joswig, W; Schuster, H U; Mason, S A","Verfeinerung der Struktur von Malachit, Cu2 (O H)2 C O3, durch Neutronenbeugung","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","412","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"6000266","9.5323","","5.6064","","9.8535","","90","","110.667","","90","","492.7","","","","","","","","","","","","","3","C 1 2 1","","","","","","- Bi Mn O3 -","","","","","","Atou, T.; Chiba, H.; Ohoyama, K.; Yamaguchi, Y.; Syono, Y.","Structure determination of ferromagnetic perovskite BiMnO3","Journal of Solid State Chemistry","1999","145","","639","642","10.1006/jssc.1999.8267","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000267","34.33","","7.8","","7.25","","103.69","","89.86","","94.12","","1881.12","","","","","","","","","","","","","5","P 1","","","","","","- C68 H144 Cr2 N2 O7 -","","","","","","Fosse, N.; Brohan, L.","Thermal and structural investigations of the bis-dihexadecyldimethylammonium dichromate","Journal of Solid State Chemistry","1999","145","","655","667","10.1006/jssc.1999.8277","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000275","6.4917","","6.4917","","9.1941","","90","","90","","90","","387.46","","","","195","","","","","","","","","3","I 4/m c m","","","","","","- N Na3 O3 -","","","","","","Klosters, G.; Jansen, M.","Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2","Journal of Solid State Chemistry","1999","145","","267","275","10.1006/jssc.1999.8263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000276","6.4651","","6.4651","","4.6238","","90","","90","","90","","193.27","","","","125","","","","","","","","","3","P 4/m b m","","","","","","- N Na3 O3 -","","","","","","Klosters, G.; Jansen, M.","Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2","Journal of Solid State Chemistry","1999","145","","267","275","10.1006/jssc.1999.8263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000277","6.4535","","6.4535","","4.6197","","90","","90","","90","","192.4","","","","5","","","","","","","","","3","P -4 21 m","","","","","","- N Na3 O3 -","","","","","","Klosters, G.; Jansen, M.","Neutron diffraction study of the low-temperature phases of sodium oxide nitrite, Na3ONO2","Journal of Solid State Chemistry","1999","145","","267","275","10.1006/jssc.1999.8263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"8103540","12.501","","11.248","","7.608","","90","","112.21","","90","","990.398","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Tl4 Ge S4","","- Ge S4 Tl4 -","- Ge S4 Tl4 -","- Ge4 S16 Tl16 -","4","1","","Eulenberger, G.","Die Kristallstruktur des Thallium(I)thiogermanats Tl4 Ge S4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","427","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","301880","2025-08-22","23:45:50",""
"8103542","8.434","","13.015","","7.1717","","90","","116.09","","90","","707.012","","","","","","","","","","","","Synthetic","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","K.58 Na0.42 (Al Si3 O8)","Orthoclase","- Al K0.58 Na0.42 O8 Si3 -","- Al1.01 K0.58 Na0.42 O8 Si2.99 -","- Al4.04 K2.32 Na1.68 O32 Si11.96 -","4","","","Fenn, P.M.; Brown, G.E.","Crystal structure of a synthetic, compositionally intermediate, hypersolvus alkali felspar: evidence for Na, K site ordering","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","124","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8103545","6.587","","6.587","","6.587","","35.3","","35.3","","35.3","","85.255","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Sr U O3.597","","- O3.597 Sr U -","- O3.598 Sr U -","- O3.598 Sr U -","1","0.0833333","","Fujino, T.; Masaki, N.; Tagawa, H.","The crystal structures of alpha and gamma Sr U O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","299","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103546","6.542","","6.542","","6.542","","35.54","","35.54","","35.54","","84.545","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Sr U O3.777","","- O3.777 Sr U -","- O3.778 Sr U -","- O3.778 Sr U -","1","0.0833333","","Fujino, T.; Masaki, N.; Tagawa, H.","The crystal structures of alpha and gamma Sr U O4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","299","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103547","7.715","","7.715","","5.22","","90","","90","","120","","269.075","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Zn (Cl O4)2 (H2 O)6","","- Cl2 H12 O14 Zn -","- Cl2 O14 Zn -","- Cl2 O14 Zn -","1","0.0833333","","Ghosh, M.; Ray, S.","Twinning and disorder in zinc perchlorate hexahydrate crystaL","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103579","20.076","","4.65","","11.22","","90","","92.99","","90","","1046","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Te8 O10 (P O4)4","","- O26 P4 Te8 -","- O26 P4 Te8 -","- O52 P8 Te16 -","2","0.5","","Mayer, H.; Pupp, G.","Synthese und Kristallstruktur von Te8 O10 (P O4)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","321","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103585","11.68","","9.12","","7.02","","90","","101.9","","90","","731.711","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Ge Br2","","- Br2 Ge -","- Br2 Ge -","- Br16 Ge8 -","8","2","","Rouse, R.C.; Peacor, D.R.; Maxim, B.R.","The crystal structure of germanimum dibromide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1977","145","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9008261","8.098","","7.613","","14.065","","90","","90","","90","","867.108","","","","","","","","","","","","Langban, Varmland, Sweden","5","P 1 21/n 1","-P 2yn","14","","","Trimerite","- Be3 Ca Mn2 O12 Si3 -","- Be3 Ca Mn2 O12 Si3 -","- Be12 Ca4 Mn8 O48 Si12 -","4","1","","Klaska, K. H.; Jarchow, O.","Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3 und das trimeritgesetz der verzwillingung","Zeitschrift fur Kristallographie","1977","145","","46","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008262","5.044","","8.809","","12.743","","90","","90","","90","","566.205","","","","","","","","","","","","Oldoinyo Lengai, Tanzania","5","C m c 21","C 2c -2","36","","","Nyerereite","- C2 Ca K0.36 Na1.64 O3 -","- C2 Ca K0.36 Na1.64 O3 -","- C8 Ca4 K1.44 Na6.56 O12 -","4","0.5","","McKie, D.; Frankis, E. J.","Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania","Zeitschrift fur Kristallographie","1977","145","","73","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008263","5.05","","5.05","","12.85","","90","","90","","120","","283.803","","","","","","","","","","","","Oldoinyo Lengai, Tanzania","5","P 63 m c","P 6c -2c","186","","","Nyerereite","- C2 Ca K0.36 Na1.64 O6 -","- C2 Ca K0.36 Na1.64 O6 -","- C4 Ca2 K0.72 Na3.28 O12 -","2","0.166667","","McKie, D.; Frankis, E. J.","Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: high-temperature polymorph with an structure that has been inferred","Zeitschrift fur Kristallographie","1977","145","","73","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9008264","17.66","","17.963","","7.4","","90","","116.47","","90","","2101.39","","","","","","","","","","","","Kuruma Pass, Fukushima Prefecture, Japan","8","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Ca","- Al3.36 Ca H30 K0.74 Mg0.04 Na1.12 O47.38 Si14.64 -","- Al3.36 Ca H22.76 K0.74 Mg0.04 Na1.12 O47.38 Si14.64 -","- Al6.72 Ca2 H45.52 K1.48 Mg0.08 Na2.24 O94.76 Si29.28 -","2","0.25","","Koyama, K.; Takeuchi, Y.","Clinoptilolite: The distribution of potassium atoms and its role in thermal stability Note: z(Wat7) corrected","Zeitschrift fur Kristallographie","1977","145","","216","239","10.1524/zkri.1977.145.3-4.216","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9008265","17.662","","17.911","","7.407","","90","","116.4","","90","","2098.8","","","","","","","","","","","","Agoura, California, USA","8","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Ca","- Al3.08 Ca0.62 H30 K0.88 Mg0.1 Na0.92 O46.66 Si14.92 -","- Al3.08 Ca0.62 H21.32 K0.88 Mg0.1 Na0.92 O46.66 Si14.92 -","- Al6.16 Ca1.24 H42.64 K1.76 Mg0.2 Na1.84 O93.32 Si29.84 -","2","0.25","","Koyama, K.; Takeuchi, Y.","Clinoptilolite: The distribution of potassium atoms and its role in thermal stability Note: z(O3) corrected","Zeitschrift fur Kristallographie","1977","145","","216","239","10.1524/zkri.1977.145.3-4.216","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9008266","9.619","","9.619","","9.619","","90","","90","","90","","890","","","","","","","","","","","","Mohawk No. 2 mine, Keweenaw County, Michigan, USA","2","I -4 3 d","I -4bd 2c 3","220","","","Domeykite","- As Cu3 -","- As Cu3 -","- As16 Cu48 -","16","0.333333","","Iglesias, J. E.; Nowacki, W.","Refinement of the crystal structure of alpha domeykite, a structure related to the A15 type","Zeitschrift fur Kristallographie","1977","145","","334","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""