Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B'

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2109090 CIF
HKL
Paper
C2 H5 IP 1 21/n 15.4335; 9.4863; 6.584
90; 102.191; 90
331.71Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin
Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study
Acta Crystallographica Section B, 2022, 78
2109091 CIF
HKL
Paper
C19 H21 Cl N4 O6P -17.0381; 12.2643; 12.4636
103.215; 97.797; 93.497
1032.92Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109092 CIF
HKL
C19 H23 N3 O5P 1 21/n 18.7472; 16.9734; 13.248
90; 94.886; 90
1959.78Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109093 CIF
HKL
C21 H25 N3 O4P -16.9734; 11.254; 13.4029
89.949; 82.689; 74.261
1003.55Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109094 CIF
HKL
C19 H21 N5 O8P 1 21/n 16.9538; 18.9491; 15.9042
90; 99.261; 90
2068.35Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109095 CIF
HKL
C14 H20 N3 O4P 1 21/c 16.9773; 20.6482; 10.5035
90; 98.764; 90
1495.56Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109096 CIF
HKL
C19 H22 N4 O6P -16.8701; 12.1647; 12.1779
101.13; 92.818; 105.005
959.26Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109097 CIFC19 H23 N3 O6P 1 21/n 18.5777; 17.5407; 13.22
90; 96.605; 90
1975.86Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109098 CIF
HKL
C45 H52 N6 O13C 1 2/c 141.7; 8.2992; 12.9536
90; 97.033; 90
4449.2Scheepers, Matthew Clarke; Lemmerer, Andreas
Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol
Acta Crystallographica Section B, 2022, 78
2109099 CIF
HKL
Paper
Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24C 1 2/m 113.3428; 18.932; 8.9404
90; 90.361; 90
2258.35Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V.
(Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure
Acta Crystallographica Section B, 2023, 79, 24-31
2109100 CIF
HKL
H5 Nd O8 Se2P 1 21/c 17.0815; 6.6996; 16.7734
90; 101.256; 90
780.48Murtazoev, Alisher F.; Berdonosov, Peter S.; Aksenov, Sergey M.; Kuznetsov, Alexey N.; Dolgikh, Valery A.; Nelyubina, Yulia V.; Merlino, Stefano
Polytypism of Ln(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O compounds: synthesis and crystal structure of the first monoclinic modification of Nd(SeO<sub>3</sub>)(HSeO<sub>3</sub>)·2H<sub>2</sub>O, DFT calculations and order/disorder description.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 176-183
2109101 CIF
HKL
Paper
Ba2 O8 Si2 TiP 4 b m8.5104; 8.5104; 5.1975
90; 90; 90
376.44Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M.
Refinement of the crystal structure of fresnoite, Ba<sub>2</sub>TiSi<sub>2</sub>O<sub>8</sub>, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated Ti<sup>IV</sup> and a titanyl bond.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 184-194
2310026 CIF
Paper
Cl4 Rb2 ZnPmcn(00\g)ss07.241; 12.648; 9.216
90; 90; 90
844.04Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander
Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~
Acta Crystallographica Section B, 2011, 67, 205-217
2310027 CIF
Paper
Cl4 Rb2 ZnPmcn(00\g)ss07.241; 12.648; 9.216
90; 90; 90
844.04Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander
Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~
Acta Crystallographica Section B, 2011, 67, 205-217
2310028 CIF
Paper
Sb8 Te3R-3m(00\g)4.3134; 4.3134; 5.8658
90; 90; 120
94.514Kifune, Kouichi; Fujita, Tomoko; Kubota, Yoshiki; Yamada, Noboru; Matsunaga, Toshiyuki
Crystallization of the chalcogenide compound Sb~8~Te~3~
Acta Crystallographica Section B, 2011, 67, 381-385
2310029 CIF
Paper
Ba0.721 Ca0.251 Ce0.024 Nb2 O6X4bm12.4596; 12.4596; 7.9042
90; 90; 90
1227.06Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)
Acta Crystallographica Section B, 2012, 68, 101-106
2310030 CIF
Paper
Ba0.72 Ca0.279 Nb2 O6X4bm12.4529; 12.4529; 7.9242
90; 90; 90
1228.84Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)
Acta Crystallographica Section B, 2012, 68, 101-106
2310031 CIF
Paper
Ga0.889 O4.222 Zn2.889C2/m(\a0\g)0019.66; 3.2487; 1.6065
90; 105.9; 90
98.7Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao
Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i>
Acta Crystallographica Section B, 2012, 68, 250-260
2310032 CIF
Paper
Ca Mn7 O12R-3(00\g)010.44365; 10.44365; 6.343562
90; 90; 120
599.195Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310033 CIF
Paper
Ca Mn7 O12R3(00\g)t10.443658; 10.443658; 6.343562
90; 90; 120
599.196Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310034 CIF
Paper
Ca Mn7 O12R31(00\g)ts10.4372; 10.4372; 6.3414
90; 90; 120
598.25Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310035 CIF
Paper
Ca Cu0.113 Mn6.887 O12R31(00\g)ts10.4312; 10.4312; 6.3417
90; 90; 120
597.59Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310036 CIF
Paper
Ca Mn7 O12R31(00\g)ts10.4452; 10.4452; 6.3453
90; 90; 120
599.54Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310037 CIF
Paper
Ca Cu0.246 Mn6.754 O12R31(00\g)ts10.403; 10.403; 6.334
90; 90; 120
593.6Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Acta Crystallographica Section B, 2012, 68, 240-249
2310038 CIF
Paper
Bi14 Fe12 O61 Sr21X2/m(\a0\g)0s3.5905; 5.4903; 3.4954
90; 81.8989; 90
68.217Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav
Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds
Acta Crystallographica Section B, 2012, 68, 341-355
2310039 CIF
Paper
Bi0.737 Mo0.263 O1.895F2(\a0\g)05.66785; 5.64098; 5.45603
90; 89.6677; 90
174.439Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Acta Crystallographica Section B, 2012, 68, 323-340
2310040 CIF
Paper
Bi0.75 Mo0.25 O1.875F2/m(\a0\g)0s5.70284; 5.64841; 5.46579
90; 89.5999; 90
176.06Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Acta Crystallographica Section B, 2012, 68, 323-340
2310041 CIF
Paper
Bi0.769 Mo0.231 O1.846F2(\a0\g)05.76634; 5.64745; 5.46529
90; 89.7935; 90
177.977Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Acta Crystallographica Section B, 2012, 68, 323-340
2310042 CIF
Paper
Bi0.727 Mo0.273 O1.909F2/m(\a0\g)0s5.64477; 5.63038; 5.4499
90; 89.7498; 90
173.208Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Acta Crystallographica Section B, 2012, 68, 323-340
2310043 CIF
Paper
Bi12 Fe10 O52 Sr18X2/m(\a0\g)0s3.6174; 5.48; 3.4641
90; 81.2438; 90
67.87Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav
Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds
Acta Crystallographica Section B, 2012, 68, 341-355
2310050 CIF
Paper
Ag0.034 In0.037 Sb0.764 Te0.165R-3m(00\g)004.3037; 4.3037; 5.6452
90; 90; 120
90.551Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi
Structural transformation of Sb-based high-speed phase-change material
Acta Crystallographica Section B, 2012, 68, 559-570
2310057 CIF
Paper
Sb0.87 Te0.13R-3m(00\g)004.3181; 4.3181; 5.7267
90; 90; 120
92.474Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi
Structural transformation of Sb-based high-speed phase-change material
Acta Crystallographica Section B, 2012, 68, 559-570
2310058 CIF
Paper
Sb0.89 Te0.11R-3m(00\g)004.29686; 4.29686; 5.6759
90; 90; 120
90.754Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi
Structural transformation of Sb-based high-speed phase-change material
Acta Crystallographica Section B, 2012, 68, 559-570
2310129 CIF
HKL
Paper
C6 H8 O2C 1 2/m 112.402; 6.47; 6.321
90; 93.69; 90
506.2Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 197-211
2310153 CIF
HKL
Paper
C32 H36 N8 O7 SP -18.4454; 10.9223; 18.4436
90.268; 94.002; 106.255
1628.78van de Streek, Jacco
Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 89-94
2310154 CIF
HKL
Paper
As39.51 Pb6.13 S136 Sb41.51 Tl16.85P 18.5197; 42.461; 16.293
83.351; 90.958; 84.275
5823Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude
Structure of Pb-rich chabournéite from Jas Roux, France.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 81-88
2310155 CIF
HKL
Paper
C0.6 O49.2 Si24P 1 21/n 113.376; 20.111; 19.878
90; 90.003; 90
5347.3Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310156 CIF
HKL
Paper
C0.14 O48.27 Si24P 1 21/n 113.383; 20.118; 19.887
90; 90.049; 90
5354.4Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310157 CIF
HKL
Paper
C0.6 O49.2 Si24P 1 21/n 113.388; 20.132; 19.902
90; 90.04; 90
5364.1Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310158 CIF
HKL
Paper
C1.1 O50.2 Si24P 1 21/n 113.383; 20.121; 19.881
90; 90.057; 90
5353.5Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310159 CIF
HKL
Paper
C1.1 O48.5 Si24P 1 21/n 113.386; 20.106; 19.881
90; 90.02; 90
5350.8Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310160 CIF
HKL
Paper
C2 O49 Si24P 1 21/n 113.381; 20.107; 19.875
90; 90.023; 90
5347.4Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310161 CIF
HKL
Paper
C0.4 O48.2 Si24P 1 21/n 113.383; 20.108; 19.877
90; 90.003; 90
5349Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310162 CIF
HKL
Paper
C0.5 O48.2 Si24P 1 21/n 113.385; 20.11; 19.881
90; 90.041; 90
5351.4Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 112-118
2310163 CIF
HKL
Paper
C4 H16 Ca O12P 21 21 27.739; 12.803; 5.829
90; 90; 90
577.551Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida
Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 68-73
2310735 CIF
Paper
Fe0.615 La3.333 O11.333 Ti2.718P 1 21/c 1 (2*c,2*a+c,b)7.827; 5.218; 5.537
90; 90; 90.02
226.1Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144
2310736 CIF
Paper
Fe0.615 La3.333 O11.333 Ti2.718P 1 21/c 1 (2*c,2*a+c,b)7.8266; 5.2203; 5.5404
90; 90; 89.988
226.37Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144
2310737 CIF
Paper
Fe0.615 La3.333 O11.333 Ti2.718P 1 21/c 1 (2*c,2*a+c,b)7.8295; 5.2213; 5.5418
90; 90; 89.994
226.55Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144
2310738 CIF
Paper
Fe0.615 La3.333 O11.333 Ti2.718P 1 21/c 1 (2*c,2*a+c,b)7.8339; 5.2222; 5.5444
90; 90; 90.007
226.82Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144
2310739 CIF
Paper
Fe0.615 La3.333 O11.333 Ti2.718P 1 21/c 1 (2*c,2*a+c,b)7.837; 5.2237; 5.5459
90; 90; 90.001
227.04Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144

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