Crystallography Open Database
Search results
Result: there are 223 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' volume of publication is 54
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1001821 | CIF | O80 P4 W24 | P 21 21 21 | 5.312; 6.5557; 42.196 90; 90; 90 | 1469.4 | Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze Acta Crystallographica B (39,1983-), 1998, 54, 365-375 |
| 2002890 | CIF Paper | C24 H66 Mo12 N4 O50 P2 | P 1 21/n 1 | 11.211; 12.862; 23.05 90; 94.37; 90 | 3314 | Lyxell,D-G.; Bostrom,D.; Hashimoto,M.; Pettersson,L. Multicomponent Polyanions. 53. Structure of Tetrakis(trimethylammonium) Tetra-μ-oxo-bis(triaquahexadecaoxo(trioxophenylphosphato)hexamolybdate) Dihydrate, [NH(CH~3~)~3~]~4~[{(C~6~H~5~P)Mo~6~O~21~(H~2~O)~3~}~2~].2H~2~O Acta Crystallographica Section B, 1998, 54, 424-430 |
| 2002891 | CIF Paper | Al4.5 Fe Si | A 1 2/a 1 | 6.1676; 6.1661; 20.8093 90; 91; 90 | 791.26 | Hansen, Vidar; Hauback, Bjørn; Sundberg, M.; Rømming, Chr.; Gjønnes, Jon β-Al~4.5~FeSi: A Combined Synchrotron Powder Diffraction, Electron Diffraction, High-Resolution Electron Microscopy and Single-Crystal X-ray Diffraction Study of a Faulted Structure Acta Crystallographica Section B, 1998, 54, 351-357 |
| 2002892 | CIF Paper | Al1.95 Na1.95 O4 Si0.05 | P 41 21 2 | 5.2997; 5.2997; 7.0758 90; 90; 90 | 198.74 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2002893 | CIF Paper | Al1.75 Na1.75 O4 Si0.25 | P b c a | 10.416; 14.25; 5.2038 90; 90; 90 | 772.4 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2002894 | CIF Paper | Al1.65 Na1.65 O4 Si0.35 | P 41 21 2 | 10.3872; 10.3872; 7.1589 90; 90; 90 | 772.4 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2002895 | CIF Paper | Al1.55 Na1.55 O4 Si0.45 | P b c a | 10.385; 14.198; 5.1925 90; 90; 90 | 765.6 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2002896 | CIF Paper | Al1.15 Na1.15 O4 Si0.85 | P b 21 a | 10.214; 14.226; 10.308 90; 90; 90 | 1497.8 | Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B, 1998, 54, 531-546 |
| 2002897 | CIF | Al1.45 Na1.45 O4 Si0.55 | P 21 3 | 14.553; 14.553; 14.553 90; 90; 90 | 3082 | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure Acta Crystallographica, Section B, 1998, 54, 547-557 |
| 2002899 | CIF Paper | C4 H6 N4 Na2 Ni O3 | P -1 | 7.392; 8.895; 15.115 89.12; 87.46; 84.54 | 988.3 | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K Acta Crystallographica Section B, 1998, 54, 600-612 |
| 2002900 | CIF Paper | C4 H6 N4 Na2 Ni O3 | P -1 | 7.32; 8.902; 15.204 89.333; 87.336; 83.621 | 983.5 | Ptasiewicz-Bąk, H.; Olovsson, I.; McIntyre, G.J. Structure, Charge and Spin Density in Na~2~Ni(CN)~4~.3H~2~O at 295 and 30 K Acta Crystallographica Section B, 1998, 54, 600-612 |
| 2002907 | CIF Paper | As2 Cs0.14 O10 Rb1.86 Ti2 | P n a 21 | 13.2691; 6.6848; 10.7629 90; 90; 90 | 954.68 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002908 | CIF Paper | As2 Cs0.62 O10 Rb1.38 Ti2 | P n a 21 | 13.33; 6.7181; 10.762 90; 90; 90 | 963.8 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002909 | CIF Paper | As2 Cs1.15 O10 Rb0.85 Ti2 | P n a 21 | 13.392; 6.769; 10.7524 90; 90; 90 | 974.7 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002910 | CIF Paper | As2 Cs1.43 O10 Rb0.57 Ti2 | P n a 21 | 13.426; 6.8054; 10.7205 90; 90; 90 | 979.52 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002911 | CIF Paper | As2 Cs1.73 O10 Rb0.27 Ti2 | P n a 21 | 13.467; 6.836; 10.704 90; 90; 90 | 985.4 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002912 | CIF Paper | As2 Cs1.4 O10 Rb0.6 Ti2 | P n a 21 | 13.43; 6.8; 10.762 90; 90; 90 | 982.8 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002913 | CIF Paper | As2 Cs1.72 O10 Rb0.28 Ti2 | P n a 21 | 13.442; 6.816; 10.735 90; 90; 90 | 983.5 | Womersley, M. N.; Thomas, P. A.; Corker, D. L. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. I. Crystal Structure Analysis and Pseudo-symmetry Acta Crystallographica Section B, 1998, 54, 635-644 |
| 2002914 | CIF Paper | As2 Cs1.8 O10 Rb0.16 Ti2 | P n a 21 | 13.466; 6.837; 10.704 90; 90; 90 | 985.5 | Thomas, P. A.; Womersley, M. N. Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group Acta Crystallographica Section B, 1998, 54, 645-651 |
| 2002919 | CIF Paper | C18 H20 N2 O2 | P 1 21/c 1 | 18.281; 5.379; 8.155 90; 91.25; 90 | 801.72 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002920 | CIF Paper | C30 H28 N2 O2 | P 1 21/c 1 | 26.629; 5.426; 8.095 90; 95.15; 90 | 1164.9 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002921 | CIF Paper | C16 H16 N2 O2 | P 1 21/c 1 | 14.94; 5.4816; 8.372 90; 90.25; 90 | 685.62 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002922 | CIF Paper | C12 H22 N2 O2 | C 1 2/c 1 | 31.2595; 5.1534; 8.2639 90; 104.189; 90 | 1290.64 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002923 | CIF Paper | C18 H18 Cl2 N2 O2 | P -1 | 4.4878; 8.785; 11.987 70; 86.67; 82.18 | 439.93 | Loehlin, J. H.; Franz, K. J.; Gist, L.; Moore, R. H. Supramolecular Alcohol‒Amine Crystals and Their Hydrogen-Bond Patterns Acta Crystallographica Section B, 1998, 54, 695-704 |
| 2002924 | CIF Paper | C5 H5 N O | P 21 21 21 | 13.585; 5.806; 5.603 90; 90; 90 | 441.9 | Yang, H.W.; Craven, B.M. Charge Density Study of 2-Pyridone Acta Crystallographica Section B, 1998, 54, 912-920 |
| 2002931 | CIF Paper | Al177 Cr49 Ni | P 63/m | 17.674; 17.674; 12.516 90; 90; 120 | 3385.8 | Marsh, R. E. Concerning the κ Phase of Al‒Cr‒Ni Acta Crystallographica Section B, 1998, 54, 925-926 |
| 2002950 | CIF | Nb5 O17 Sr5 | P n n m | 32.456; 5.674; 3.995 90; 90; 90 | 735.7 | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~ Acta Crystallographica, Section B, 1998, 54, 399-416 |
| 2002951 | CIF | Nb5 O17 Sr5 | P n n m | 32.456; 5.674; 3.995 90; 90; 90 | 735.7 | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~ Acta Crystallographica, Section B, 1998, 54, 399-416 |
| 2002952 | CIF Paper | C H10 F6 N4 O Zr | P 1 21/n 1 | 12.377; 9.7522; 13.8543 90; 97.326; 90 | 1658.6 | Ross II, C. R.; Paulsen, B. L.; Nielson, R. M.; Abrahams, S. C. Aminoguanidinium(2+) Hexafluorozirconate Monohydrate: A Co-Product of Preparing the Ferroelectric Anhydrous Salt Acta Crystallographica Section B, 1998, 54, 417-423 |
| 2002983 | CIF Paper | O7 V2 Zr | P a -3 | 26.296; 26.296; 26.296 90; 90; 90 | 18183.1 | Evans, J.S.O.; Hanson, J.C.; Sleight, A.W. Room-Temperature Superstructure of ZrV~2~O~7~ Acta Crystallographica Section B, 1998, 54, 705-713 |
| 2002985 | CIF Paper | C17 H22 N2 O3 | P -1 | 10.5; 11.617; 28.622 83.15; 83.41; 68.48 | 3215.2 | Kálmán, A.; Argay, Gy. Topological Description of Pseudosymmetries in <i>trans</i>-2,3,4,5,5a,6,7,8,9,9a-Decahydro-2-methyl-4-phenylaminocarbonylbenzo[<i>f</i>][1,4]oxazepin-3-one and Other Structures which Crystallize in Space Group <i>P</i>-1 with <i>Z</i> = 8 Acta Crystallographica Section B, 1998, 54, 877-888 |
| 2002987 | CIF Paper | In1.4 Se2 Tl0.6 | I 4/m c m | 8.054; 8.054; 6.805 90; 90; 90 | 441.4 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2002988 | CIF Paper | In1.2 Se2 Tl0.8 | I 4/m c m | 8.056; 8.056; 6.826 90; 90; 90 | 443 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2002989 | CIF Paper | In0.8 Se2 Tl1.2 | I 4/m c m | 8.057; 8.057; 6.83 90; 90; 90 | 443.37 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 Acta Crystallographica Section B, 1998, 54, 358-364 |
| 2002995 | CIF HKL Paper | C8 H18 Cd O11 | P c c a | 7.304; 9.981; 19.956 90; 90; 90 | 1454.8 | Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A. An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O Acta Crystallographica Section B, 1998, 54, 657-662 |
| 2002996 | CIF Paper | C8 H24 N2 O4 S | P 42/n m c :1 | 7.5355; 7.5355; 10.991 90; 90; 90 | 624.11 | Malchus, Michael; Jansen, Martin Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate Acta Crystallographica, Section B, 1998, 54, 494-502 |
| 2002997 | CIF Paper | C8 H24 N2 O4 S | P 4/n b m :1 | 10.8948; 10.8948; 10.789 90; 90; 90 | 1280.6 | Malchus, Michael; Jansen, Martin Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate Acta Crystallographica Section B, 1998, 54, 494-502 |
| 2002998 | CIF Paper | C57 H52 Cl O2 Os P3 | P 31 | 12.623; 12.623; 26.325 90; 90; 120 | 3632.7 | Herbst-Irmer, Regine; Sheldrick, George M. Refinement of Twinned Structures with <i>SHELXL</i>97 Acta Crystallographica Section B, 1998, 54, 443-449 |
| 2002999 | CIF Paper | O20 P4 Ti5 | P 21 21 21 | 12.8417; 14.4195; 7.4622 90; 90; 90 | 1381.8 | Glaum, Robert; Reinauer, Felix Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations Acta Crystallographica Section B, 1998, 54, 722-731 |
| 2003003 | CIF Paper | ? | P 4 21 2 | 23.808; 23.808; 23.14 90; 90; 90 | 13116 | Steiner, T.; Saenger, W. Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate Acta Crystallographica Section B, 1998, 54, 450-455 |
| 2003004 | CIF | O80 P4 W24 | P 21 21 21 | 5.312; 6.5557; 42.196 90; 90; 90 | 1469.5 | Roussel, P.; Mather, G.; Domengès, B.; Groult, D.; Labbé, P. Structural Investigation of P~4~W~24~O~80~: A New Monophosphate Tungsten Bronze Acta Crystallographica, Section B: Structural Science, 1998, 54, 365-375 |
| 2003005 | CIF Paper | Ag7 P Se6 | P 21 3 | 10.772; 10.772; 10.772 90; 90; 90 | 1249.9 | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ Acta Crystallographica Section B, 1998, 54, 376-383 |
| 2003006 | CIF Paper | Ag7 P Se6 | F -4 3 m | 10.838; 10.838; 10.838 90; 90; 90 | 1273.1 | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ Acta Crystallographica Section B, 1998, 54, 376-383 |
| 2003007 | CIF Paper | D2 O4 P Tl | P 1 1 21/b | 9.07; 15; 6.575 90; 90; 106.92 | 855.8 | Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~ Acta Crystallographica Section B, 1998, 54, 790-797 |
| 2003016 | CIF Paper | C6 H14 I2 N2 O2 Zn | C 1 2/c 1 | 14.005; 13.697; 15.755 90; 110.88; 90 | 2824 | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ Acta Crystallographica Section B, 1998, 54, 663-670 |
| 2003017 | CIF Paper | C6 H14 I2 N2 O2 Zn | P 1 21/n 1 | 13.819; 13.543; 15.559 90; 110.29; 90 | 2731.2 | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ Acta Crystallographica Section B, 1998, 54, 663-670 |
| 2003018 | CIF Paper | C4 H6 N2 O2 | P 1 21/c 1 | 5.941; 10.08; 8.282 90; 95.87; 90 | 493.4 | Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration Acta Crystallographica Section B, 1998, 54, 851-858 |
| 2003019 | CIF Paper | C21 H15 Bi O6 | P 1 21/m 1 | 7.858; 14.442; 16.807 90; 92.26; 90 | 1905.9 | Rae, A. D.; Gainsford, G. J.; Kemmitt, T. Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i> Acta Crystallographica Section B, 1998, 54, 438-442 |
| 2003020 | CIF Paper | B2 Ba O2 | R 3 | 12.532; 12.532; 12.717 90; 90; 120 | 1729.64 | Xue, D. F.; Zhang, S. Y. Structure and Non-linear Optical Properties of β -Barium Borate Acta Crystallographica Section B, 1998, 54, 652-656 |
| 2003021 | CIF | Ca8 Ga8 H8 O32 Si4 | I -4 3 m | 8.9346; 8.9346; 8.9346 90; 90; 90 | 713.22 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B, 1998, 54, 558-563 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!