Crystallography Open Database

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1536441 CIFC O3 Rb2P 63/m m c5.89596; 5.89596; 7.80268
90; 90; 120
234.9Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536439 CIFC K2 O2.4999P 63/m m c5.69484; 5.69484; 7.33013
90; 90; 120
205.876Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536437 CIFC2 O6 Rb2P 1 21/c 17.91288; 10.51173; 7.55593
90; 102.001; 90
614.75Dinnebier, R.E.; Vensky, S.; Jansen, M.
Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6)
Chemistry - A European Journal, 2003, 9, 4391-4395
1536390 CIFIn5.64 La Ni7.36I b a m8.066; 9.248; 12.465
90; 90; 90
929.819Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349
1536387 CIFIn4 La NiC m c m4.482; 16.895; 7.221
90; 90; 90
546.799Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349
1536176 CIFBa P4 Te2P n m a16.486; 6.484; 7.076
90; 90; 90
756.391Joergens, S.; Johrendt, D.; Mewis, A.
Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus
Chemistry - A European Journal, 2003, 9, 2405-2410
1536096 CIFAs3.3 Cu8 I8 P8.7P 1 21/c 115.309; 13.057; 15.305
90; 115.75; 90
2755.52Jayasekera, B.; Lo, A.Y.H.; Brock, S.L.; Schurko, R.W.; Nazri, G.A.
Structure-property correlations in solid solutions of (Cu I)8 P(12-x) As(x), 2.4 <= x <= 6.6
Chemistry - A European Journal, 2005, 11, 3762-3772
1536095 CIFTa97 Te60P 21 21 2127.627; 27.627; 20.613
90; 90; 90
15732.9Conrad, M.; Harbrecht, B.
Ta97 Te60: a crystalline approximant of a tantalum telluride quasicrystal with twelvefold rotational symmetry
Chemistry - A European Journal, 2000, 8, 3094-3102
1536081 CIFCr8 Ga29.8 Zn11.2R -3 :H13.7153; 13.7153; 14.6872
90; 90; 120
2392.66Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1536078 CIFGa41 V8R -3 :H13.9351; 13.9351; 14.8828
90; 90; 120
2502.85Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1536077 CIFCo3 D4 H80 Na12 O110 W19 Zn2P 1 21/c 113.0749; 17.817; 24.205
90; 119.047; 90
4929.46Clemente-Juan, J.M.; Guedel, H.U.; Coronado, E.; Gaita-Arino, A.; Gimenez-Saiz, C.; Chaboussant, G.; Burriel, R.; Mutka, H.
Magnetism in polyoxometalates: Anisotropic exchange interactions in the Co moiety of [Co3 W (D2 O)2 (Zn W9 O34)2]12- - A magnetic and inelastic neutron scattering study
Chemistry - A European Journal, 2002, 8, 5701-5708
1536074 CIFGa38.9 V8 Zn2.1R -3 :H13.9244; 13.9244; 14.866
90; 90; 120
2496.19Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1535855 CIFC6 N9 Rb3P 1 21/c 13.89927; 12.2606; 25.4745
90; 98.741; 90
1203.72Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535851 CIFC2 N3 RbC 1 2/c 113.8156; 10.00018; 14.43275
90; 116.896; 90
1778.31Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535848 CIFC2 N3 RbP b c m8.56092; 6.61711; 7.65067
90; 90; 90
433.399Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535845 CIFC6 K3 N9P 1 21/c 13.73823; 11.9248; 25.0044
90; 101.406; 90
1092.62Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535841 CIFC2 K N3P n m a8.55404; 3.87802; 12.5273
90; 90; 90
415.565Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535837 CIFC2 K N3P 1 21/n 17.26924; 15.96335; 3.87037
90; 111.878; 90
416.777Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535833 CIFC2 K N3P b c m8.36518; 6.46898; 7.21266
90; 90; 90
390.307Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535607 CIFIr43.96 Zn358.94F -4 3 m18.224; 18.224; 18.224
90; 90; 90
6052.45Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535605 CIFIr38.35 Zn367.3F -4 3 m18.224; 18.224; 18.224
90; 90; 90
6052.45Hornfeck, W.; Thimmaiah, S.; Harbrecht, B.; Lee, S.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535602 CIFIr36.22 Zn369.79F -4 3 m18.214; 18.214; 18.214
90; 90; 90
6042.49Hornfeck, W.; Lee, S.; Thimmaiah, S.; Harbrecht, B.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535580 CIFBi12.52 Pb2.48 Rb0.69 Se21C 1 2/m 131.991; 4.1937; 17.481
90; 112.519; 90
2166.44Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535576 CIFBi11.46 K0.54 Se21 Sn3.54C 1 2/m 131.91; 4.1462; 17.311
90; 112.064; 90
2122.6Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535573 CIFBi12.71 K1.46 Pb1.57 Se21C 1 2/m 131.883; 4.1863; 17.387
90; 112.098; 90
2150.2Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535570 CIFBi11.2 Cs0.65 Pb3.8 Se21C 1 2/m 132.3219; 4.1715; 17.57039
90; 112.69; 90
2185.68Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535475 CIFHg K2 Se4 SnI -4 2 m8.0681; 8.0681; 6.9497
90; 90; 90
452.385Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.
Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}
Chemistry - A European Journal, 2004, 10, 5147-5157
1535316 CIFCs11 Cu4 H56 K0.5 N12 Na0.5 O100.5 Si2 W20P 1 21/c 111.9946; 19.0711; 23.455
90; 99.761; 90
5287.67Mialane, P.; Dolbecq, A.; Marrot, J.; Secheresse, F.; Riviere, E.
A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex
Chemistry - A European Journal, 2005, 11, 1771-1778
1535313 CIFCu9 H63 K12.75 N12 Na4.5 O126 Si3 W24R 3 c :H18.374; 18.374; 63.6678
90; 90; 120
18614.8Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.
A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex
Chemistry - A European Journal, 2005, 11, 1771-1778
1535230 CIFH9 O15 P3 Zn2.5P -18.475; 9.869; 9.889
112.06; 111.97; 96.99
677.004Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
Chemistry - A European Journal, 2004, 10, 2795-2803
1535148 CIFAs Cu F7I m m a10.732; 6.941; 6.814
90; 90; 90
507.58Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.
Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6
Chemistry - A European Journal, 2004, 10, 5052-5058
1535138 CIFH6 Mn3 O12 S2P b c m7.2852; 9.9568; 13.2519
90; 90; 90
961.257Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.
Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)
Chemistry - A European Journal, 2004, 10, 2048-2057
1534962 CIFAs N9P 1 21/c 17.3263; 11.7162; 6.9865
90; 107.219; 90
572.818Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.
First Structural Characterization of Binary AsIII and SbIII Azides
Chemistry - A European Journal, 2004, 10, 508-517
1534958 CIFN9 SbR -3 :R7.6998; 7.6998; 7.6998
55.787; 55.787; 55.787
291.257Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.
First structural characterization of binary As(III) and Sb(III) azides
Chemistry - A European Journal, 2004, 10, 508-517
1534580 CIFCo6 Ge6 MgP 6/m m m5.0709; 5.0709; 7.7446
90; 90; 120
172.465Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.
Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6
Chemistry - A European Journal, 2006, 12, 1924-1930
1534576 CIFP13 Rb11 S52 U7I -4 2 d32.1641; 32.1641; 17.7244
90; 90; 90
18336.4Gieck, C.; Tremel, W.
Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)
Chemistry - A European Journal, 2002, 8, 2980-2987
1534573 CIFK11 P13 S52 U7I -4 2 d32.0481; 32.0481; 17.3208
90; 90; 90
17789.9Gieck, C.; Tremel, W.
Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)
Chemistry - A European Journal, 2002, 8, 2980-2987
1534482 CIFCl H260.71 Na14.5 O369 P8 Ti16 W60P 1 21/c 126.785; 50.471; 27.721
90; 94.525; 90
37358.3Sakai, Y.; Yoza, K.; Kato, C.N.; Nomiya, K.
Tetrameric, trititanium(IV)-substituted polyoxotungstates with an alpha-Dawson substructure as soluble metal-oxide analogues: molecular structure of the giant "tetrapod" ((alpha-1,2,3-P2 W15 Ti3 O62)4 (mue3-Ti(O H)3)4 Cl)(45-)
Chemistry - A European Journal, 2003, 9, 4077-4083
1532734 CIFLi3 N2 ScI a -310.045; 10.045; 10.045
90; 90; 90
1013.56Niewa, R.; Leoni, S.; Zherebtsov, D.A.
Li3 (Sc N2): the first nitridoscandate(III) - tetrahedral Sc coordination and unusual M X2 framework
Chemistry - A European Journal, 2003, 9, 4255-4259
1532698 CIFO24 Rh7.5 Sr10.5P -3 c 19.6403; 9.6403; 21.2396
90; 90; 120
1709.46Boulahya, K.; Hernando, M.; Varela, A.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.
Strategies to stabilize new members of the (A3 A' B O6)alpha (A3 B3 O9)beta. Homologous series in the Sr - Rh - O system: structure of the one-dimensional (alpha = 3, beta = 2) (Sr10 (Sr0.5 Rh1.5)TP (Rh6)Oh) O24 oxide
Chemistry - A European Journal, 2002, 8, 4973-4979
1528801 CIFC2 H6 Mn O6P 1 21/c 18.808; 7.2136; 9.6203
90; 97.693; 90
605.747Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng
Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite)
Chemistry - A European Journal, 2007, 13, 9775-9790
1528731 CIFBi2 O6 WA 1 2/m 18.37422; 3.854296; 16.44044
90; 102.334; 90
518.396McDowell, N.A.; Knight, K.S.; Lightfoot, P.
Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
Chemistry - A European Journal, 2006, 12, 1493-1499
1528730 CIFBi2 O6 WB 2 c b5.533997; 5.49983; 16.55071
90; 90; 90
503.738McDowell, N.A.; Knight, K.S.; Lightfoot, P.
Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
Chemistry - A European Journal, 2006, 12, 1493-1499
1528523 CIFCl0.5 Eu H4.1 O3.3P 21 21 212.9152; 7.3761; 8.7016
90; 90; 90
828.948Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.
New layered rare-earth hydroxides with anion-exchange properties
Chemistry - A European Journal, 2008, 14, 9255-9260
1528351 CIFC74 H90 Cd2 Cl2 N12 Ni30 O34P 1 21/n 114.819; 25.099; 15.347
90; 94.374; 90
5691.57Bernardi, A.; Zanello, P.; Femoni, C.; Iapalucci, M.C.; Longoni, G.; Ranuzzi, F.; Zacchini, S.; Fedi, S.
Synthesis, molecular structure and properties of the [H(6-n) Ni30 C4 (C O)34 (Cd Cl)2](n-) (n=3-6) bimetallic carbide carbonyl cluster: a model for the growth of noncompact interstitial metal carbides
Chemistry - A European Journal, 2008, 14, 1924-1934
1525952 CIFAl3 H7 O16 Pb2 Si3P -4 3 n9.07; 9.07; 9.07
90; 90; 90
746.143Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J.
Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy
Chemistry - A European Journal, 2000, 6, 292-297
1511744 CIFB4 Gd2 O9C 1 2/c 125.39; 4.433; 24.908
90; 99.88; 90
2761.91Huppertz, H.; Emme, H.
High-pressure preparation, crystal structure and properties of alpha-(RE)2 B4 O9 (RE = Eu, Gd, Tb, Dy): oxoborates displaying a new type of structure with edge-sharing B O4 tetrahedra
Chemistry - A European Journal, 2003, 9, 3623-3633
1511450 CIFB Ba4 N26 O Si12 Sm7P -612.1597; 12.1597; 5.428
90; 90; 120
695.05Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797
1511449 CIFB Ba4 N26 O Pr7 Si12P -612.2568; 12.2568; 5.4483
90; 90; 120
708.836Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797
1511448 CIFB Ba4 N26 Nd7 O Si12P -612.2255; 12.2255; 5.446
90; 90; 120
704.923Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797

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