Crystallography Open Database
Search results
Result: there are 233 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 55
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1009025 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 3.999; 3.999; 4.12 90; 90; 90 | 65.9 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 1009026 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 4.012; 4.012; 4.1 90; 90; 90 | 66 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 1009027 | CIF | Hf0.4 O3 Pb Ti0.6 | P m -3 m | 4.046; 4.046; 4.046 90; 90; 90 | 66.2 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
| 2002945 | CIF Paper | Na O3 Ta | P 4/m b m | 5.55465; 5.55465; 3.93426 90; 90; 90 | 121.388 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2002944 | CIF Paper | Na Nb O3 | P 4/m b m | 5.56896; 5.56896; 3.94408 90; 90; 90 | 122.319 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2105681 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2105682 | CIF Paper | O1.879 Y0.242 Zr0.758 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~ Acta Crystallographica Section B, 1999, 55, 726-735 |
| 2107334 | CIF | O1.7096 Y0.242 Zr0.7576 | F m -3 m | 5.15463; 5.15463; 5.15463 90; 90; 90 | 136.96 | Ishizawa, N.; Hayashi, M.; Matsushima, Y.; Ueki, M. Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758 Y0.242 O1.879 Acta Crystallographica B (39,1983-), 1999, 55, 726-735 |
| 2003112 | CIF Paper | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.6947 90; 90; 90 | 146.65 | Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B, 1999, 55, 45-54 |
| 2003125 | CIF HKL Paper | Dy Fe O3 | P n m a | 5.5957; 7.629; 5.3009 90; 90; 90 | 226.29 | Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy) Acta Crystallographica Section B, 1999, 55, 1-7 |
| 2002929 | CIF Paper | C12 H8 O4 | P -1 | 3.7061; 7.4688; 8.535 86.62; 85.49; 87.99 | 235 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
| 2003124 | CIF HKL Paper | Fe Nd O3 | P n m a | 5.5887; 7.7619; 5.4489 90; 90; 90 | 236.37 | Streltsov, V. A.; Ishizawa, N. Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy) Acta Crystallographica Section B, 1999, 55, 1-7 |
| 2003131 | CIF Paper | Nb0.5 O3 Sr Yb0.5 | P 1 21/n 1 | 5.79095; 5.8221; 8.20358 90; 90.1262; 90 | 276.59 | Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~ Acta Crystallographica, Section B, 1999, 55, 348-354 |
| 2003132 | CIF Paper | Nb0.5 O3 Sr Yb0.5 | P 1 21/n 1 | 5.79095; 5.8221; 8.20358 90; 90.1262; 90 | 276.59 | Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~ Acta Crystallographica, Section B, 1999, 55, 348-354 |
| 2105556 | CIF Paper | Mo3 O8 Zn2 | P 63 m c | 5.77322; 5.77322; 9.91231 90; 90; 120 | 286.116 | Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex. C. Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~ Acta Crystallographica Section B, 1999, 55, 683-697 |
| 2105533 | CIF Paper | C6 H2 F4 O2 | P 1 21/n 1 | 6.5533; 4.8848; 10.148 90; 107.99; 90 | 308.97 | Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R. A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone Acta Crystallographica Section B, 1999, 55, 1005-1013 |
| 2002963 | CIF Paper | C2 H18 F6 N8 O2 Si | P -1 | 6.5124; 6.6952; 8.0215 70.723; 82.745; 89.243 | 327.348 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B, 1999, 55, 246-254 |
| 2003104 | CIF Paper | C12 H26 N2 O4 | P 1 | 5.1933; 5.4064; 13.6968 91.516; 98.603; 110.376 | 355.16 | Dalhus, Bjørn; Görbitz, Carl Henrik Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series Acta Crystallographica Section B, 1999, 55, 424-431 |
| 2105586 | CIF Paper | C7 H8 O2 S | P -1 | 7.5941; 7.8219; 7.9811 63.112; 64.66; 89.636 | 371.7 | Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B, 1999, 55, 963-974 |
| 2003130 | CIF HKL Paper | Al Li O6 Si2 | C 1 2/c 1 | 9.456; 8.386; 5.216 90; 110.13; 90 | 388.35 | Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B, 1999, 55, 273-284 |
| 2003129 | CIF HKL Paper | Al Li O6 Si2 | C 1 2/c 1 | 9.462; 8.392; 5.221 90; 110.18; 90 | 389.12 | Kuntzinger, Sandrine; Ghermani, Nour Eddine Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data Acta Crystallographica Section B, 1999, 55, 273-284 |
| 2002984 | CIF Paper | Fe2 Ho | F d -3 m :2 | 7.3091; 7.3091; 7.3091 90; 90; 90 | 390.47 | Streltsov V. A. Synchrotron X-ray analysis of the electron density in HoFe~2~ Acta Crystallographica Section B, 1999, 55, 321-326 |
| 2002966 | CIF Paper | C2 H2 F3 N O | P 21 21 21 | 4.547; 5.947; 14.731 90; 90; 90 | 398.3 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2105677 | CIF Paper | C2 H2 Cl Li O2 | P 1 21/c 1 | 9.3882; 4.8452; 9.0119 90; 94.33; 90 | 408.76 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2105557 | CIF Paper | N O P | I 1 2/a 1 | 8.5194; 4.7448; 10.397 90; 90.013; 90 | 420.276 | Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S. Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures Acta Crystallographica Section B, 1999, 55, 677-682 |
| 2105678 | CIF Paper | C2 H2 Br Li O2 | P 1 21/c 1 | 9.7165; 4.861; 9.0228 90; 93.946; 90 | 425.15 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2105679 | CIF Paper | C2 H2 I Li O2 | P 1 21/c 1 | 10.1812; 4.8922; 9.0468 90; 93.251; 90 | 449.88 | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction Acta Crystallographica Section B, 1999, 55, 517-524 |
| 2002968 | CIF Paper | C3 H2 F3 N | P 21 21 21 | 5.668; 9.266; 8.626 90; 90; 90 | 453 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2002925 | CIF HKL Paper | Be F4 H8 N2 | P n m a | 7.531; 5.874; 10.399 90; 90; 90 | 460 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
| 2105534 | CIF Paper | C6 H2 Br4 O2 | P 1 21/n 1 | 8.8907; 4.7316; 11.0612 90; 92.167; 90 | 464.981 | Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R. A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone Acta Crystallographica Section B, 1999, 55, 1005-1013 |
| 2105559 | CIF Paper | Cs2 H3 O8 P S | P 1 21/n 1 | 7.856; 7.732; 7.827 90; 99.92; 90 | 468.3 | Chisholm, Calum R. I.; Haile, Sossina M. Structure and thermal behavior of the new superprotonic conductor Cs~2~(HSO~4~)(H~2~PO~4~) Acta Crystallographica Section B, 1999, 55, 937-946 |
| 2002943 | CIF Paper | Na O3 Ta | C m c m | 7.83729; 7.84887; 7.85728 90; 90; 90 | 483.332 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2107401 | CIF | Cu8 Ge S6 | P m n 21 | 7.0445; 6.9661; 9.8699 90; 90; 90 | 484.343 | Onoda, M.; Sato, A.; Chen, X.-A.; Wada, H.; Kato, K. Structure refinement of Cu8 GeS 6 using x-ray diffraction data from a multiple-twinned crystal Acta Crystallographica B (39,1983-), 1999, 55, 721-725 |
| 2002942 | CIF Paper | Na Nb O3 | C m c m | 7.85758; 7.86793; 7.8765 90; 90; 90 | 486.948 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
| 2003056 | CIF Paper | C14 H27 Co N10 O2 | P 1 | 7.635; 8.202; 9.442 109.08; 103.46; 107.03 | 497.7 | Steve C.F. Au-Yeung Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes Acta Crystallographica Section B, 1999, 55, 389-395 |
| 2105634 | CIF Paper | O12 Re2 Tm5 | C 1 2/m 1 | 12.3717; 5.6744; 7.4805 90; 107.816; 90 | 499.96 | Ehrenberg, H.; Hartmann, T.; Wltschek, G.; Fuess, H.; Morgenroth, W.; Krane, H.-G. The crystal structure of Tm~5~Re~2~O~12~ Acta Crystallographica Section B, 1999, 55, 849-852 |
| 2002967 | CIF Paper | C3 H4 F3 N O | P 1 21/n 1 | 4.807; 16.707; 6.708 90; 109.9; 90 | 506.55 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
| 2105585 | CIF Paper | C5 H6 O S | P 21 21 21 | 6.641; 7.109; 11.594 90; 90; 90 | 547.4 | Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B, 1999, 55, 963-974 |
| 2105584 | CIF Paper | C5 H6 O S | P 1 21/a 1 | 6.848; 7.54; 11.111 90; 106.01; 90 | 551.5 | Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B, 1999, 55, 963-974 |
| 2105587 | CIF Paper | C5 H3 N O S | P 1 21/n 1 | 7.516; 8.332; 9.059 90; 100.19; 90 | 558.4 | Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C. Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents Acta Crystallographica Section B, 1999, 55, 963-974 |
| 2003030 | CIF Paper | C16 H12 N2 | P 1 21/c 1 | 4.0246; 15.5147; 9.1453 90; 101.23; 90 | 560.1 | Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo Crystal and molecular structures of diazapyrenes and a study of π···π interactions Acta Crystallographica Section B, 1999, 55, 55-69 |
| 2003051 | CIF HKL Paper | C6 H6 N2 O | P 1 21/c 1 | 3.877; 15.6; 9.375 90; 98.45; 90 | 560.9 | Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata Experimental charge density and electrostatic potential in nicotinamide Acta Crystallographica Section B, 1999, 55, 78-84 |
| 2003031 | CIF Paper | C16 H12 N2 | C 1 2/m 1 | 12.4968; 11.4751; 3.9615 90; 96.8; 90 | 564.09 | Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo Crystal and molecular structures of diazapyrenes and a study of π···π interactions Acta Crystallographica Section B, 1999, 55, 55-69 |
| 2003052 | CIF | C6 H6 N2 O | P 1 21/c 1 | 3.975; 15.632; 9.422 90; 99.03; 90 | 578.2 | Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata Experimental Charge Density and Electrostatic Potential in Nicotinamide Acta Crystallographica, Section B, 1999, 55, 78-84 |
| 2003053 | CIF | C6 H6 N2 O | P 1 21/c 1 | 3.975; 15.632; 9.422 90; 99.03; 90 | 578.2 | Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata Experimental Charge Density and Electrostatic Potential in Nicotinamide Acta Crystallographica, Section B, 1999, 55, 78-84 |
| 2002930 | CIF Paper | C14 H12 O4 | P 1 21/c 1 | 13.41931; 6.14869; 7.15257 90; 100.4; 90 | 580.471 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
| 2105637 | CIF Paper | Cl2 H8 Ni O4 | P 1 21/n 1 | 5.961; 9.273; 10.891 90; 100.02; 90 | 592.8 | Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J. Charge density in NiCl~2~.4H~2~O at 295 and 30K Acta Crystallographica Section B, 1999, 55, 830-840 |
| 2105638 | CIF Paper | Cl2 H8 Ni O4 | P 1 21/n 1 | 5.968; 9.283; 10.897 90; 100.08; 90 | 594.4 | Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J. Charge density in NiCl~2~.4H~2~O at 295 and 30K Acta Crystallographica Section B, 1999, 55, 830-840 |
| 2105623 | CIF Paper | C12 H11 N3 O2 | P -1 | 6.878; 8.241; 11.395 105.21; 96.62; 102.92 | 597 | Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V. Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones Acta Crystallographica Section B, 1999, 55, 994-1004 |
| 2105635 | CIF Paper | Cl2 H8 Ni O4 | P 1 21/n 1 | 5.985; 9.291; 10.931 90; 100.32; 90 | 598 | Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J. Charge density in NiCl~2~.4H~2~O at 295 and 30K Acta Crystallographica Section B, 1999, 55, 830-840 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!