Crystallography Open Database
Search results
Result: there are 10718 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 2102946 | CIF Paper | O3 Pb Ti0.35 Zr0.65 | P m -3 m | 4.09836; 4.09836; 4.09836 90; 90; 90 | 68.8383 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102947 | CIF Paper | Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 | R 3 c :H | 5.78826; 5.78826; 14.27227 90; 90; 120 | 414.114 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102948 | CIF Paper | Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 | P m -3 m | 4.10755; 4.10755; 4.10755 90; 90; 90 | 69.3024 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102949 | CIF Paper | Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 | R 3 c :H | 5.79776; 5.79776; 14.26758 90; 90; 120 | 415.338 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102950 | CIF Paper | Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 | P m -3 m | 4.11161; 4.11161; 4.11161 90; 90; 90 | 69.5082 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102951 | CIF Paper | Ba0.3 O3 Pb0.7 Ti0.35 Zr0.65 | P m -3 m | 4.11241; 4.11241; 4.11241 90; 90; 90 | 69.5487 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102952 | CIF Paper | Ba0.4 O3 Pb0.6 Ti0.35 Zr0.65 | P m -3 m | 4.11604; 4.11604; 4.11604 90; 90; 90 | 69.7331 | Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B, 2007, 63, 713-718 |
| 2102953 | CIF HKL Paper | B6 Ce | P m -3 m | 4.14586; 4.14586; 4.14586 90; 90; 90 | 71.26 | Ryoko, Makita; k̄iyoaki, Tanaka; Ōnuki, Yoshichika; H̄iroshi, Tatewaki Inversion of 4<i>f</i>-states in CeB~6~ thermally excited at 430K Acta Crystallographica Section B, 2007, 63, 683-692 |
| 2102954 | CIF HKL Paper | C11 H21 N3 O5 | P 21 21 21 | 6.825; 9.042; 21.728 90; 90; 90 | 1340.9 | Kalinowski, Roman; Dittrich, Birger; Hübschle, Christian; Luger, Peter; Paulmann, Carsten Experimental charge density of <small>L</small>-alanyl-<small>L</small>-prolyl-<small>L</small>-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties Acta Crystallographica Section B, 2007, 63, 753-767 |
| 2102955 | CIF Paper | Al14 Ca12 O33 | I -4 3 d | 11.9794; 11.9794; 11.9794 90; 90; 90 | 1719.12 | Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B, 2007, 63, 675-682 |
| 2102956 | CIF Paper | Al14 Ca12 O33 | I -4 3 d | 12.0308; 12.0308; 12.0308 90; 90; 90 | 1741.34 | Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B, 2007, 63, 675-682 |
| 2102957 | CIF Paper | Al14 Ca12 O33 | I -4 3 d | 12.0449; 12.0449; 12.0449 90; 90; 90 | 1747.47 | Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B, 2007, 63, 675-682 |
| 2102958 | CIF Paper | Al14 Ca12 O33 | I -4 3 d | 12.0585; 12.0585; 12.0585 90; 90; 90 | 1753.4 | Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A. Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study Acta Crystallographica Section B, 2007, 63, 675-682 |
| 2102959 | CIF Paper | C2 H2 Cl2 O2 | P 1 21/n 1 | 4.914; 11.384; 8.418 90; 93.45; 90 | 470.1 | Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B, 2007, 63, 896-902 |
| 2102960 | CIF HKL Paper | C2 H2 Cl2 O2 | P 1 21/n 1 | 4.6404; 11.134; 8.299 90; 92.89; 90 | 428.2 | Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B, 2007, 63, 896-902 |
| 2102961 | CIF Paper | C2 H2 Cl2 O2 | P 1 21/n 1 | 4.6589; 11.174; 8.2013 90; 92.88; 90 | 426.41 | Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B, 2007, 63, 896-902 |
| 2102962 | CIF HKL Paper | C2 H2 Cl2 O2 | P 1 21/n 1 | 4.563; 10.978; 8.087 90; 92.6; 90 | 404.7 | Roman Gajda; Andrzej Katrusiak Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid Acta Crystallographica Section B, 2007, 63, 896-902 |
| 2102963 | CIF Paper | C20 H12 N2 O2 | P 1 21/c 1 | 6.6661; 3.868; 27.386 90; 100.58; 90 | 694.13 | Buchsbaum, Christian; Schmidt, Martin U. Rietveld refinement of a wrong crystal structure Acta Crystallographica Section B, 2007, 63, 926-932 |
| 2102964 | CIF HKL Paper | C H2 Br Cl | C 1 2/c 1 | 11.959; 4.4531; 14.873 90; 112.96; 90 | 729.3 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
| 2102965 | CIF HKL Paper | C H2 Br Cl | C 1 2/c 1 | 11.874; 4.4224; 14.582 90; 112.04; 90 | 709.8 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
| 2102966 | CIF HKL Paper | C H2 Br Cl | P b c n | 4.1126; 8.0685; 9.755 90; 90; 90 | 323.7 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
| 2102967 | CIF HKL Paper | C H2 Br Cl | P b c n | 3.9929; 7.9351; 9.6808 90; 90; 90 | 306.73 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
| 2102968 | CIF Paper | C24 H31 N O3 | P 21 21 21 | 6.7448; 11.849; 26.976 90; 90; 90 | 2155.9 | Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations – one type of reaction, but diversity of structural changes Acta Crystallographica Section B, 2007, 63, 933-940 |
| 2102969 | CIF HKL Paper | C24 H31 N O3 | P 21 21 21 | 6.7891; 11.852; 26.822 90; 90; 90 | 2158.2 | Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B, 2007, 63, 933-940 |
| 2102970 | CIF HKL Paper | C24 H31 N O3 | P 21 21 21 | 6.832; 11.897; 26.609 90; 90; 90 | 2162.8 | Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B, 2007, 63, 933-940 |
| 2102971 | CIF HKL Paper | C24 H31 N O3 | P 21 21 21 | 6.8632; 11.9445; 26.305 90; 90; 90 | 2156.4 | Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B, 2007, 63, 933-940 |
| 2102972 | CIF HKL Paper | C24 H31 N O3 | P 21 21 21 | 6.8834; 12.0641; 25.924 90; 90; 90 | 2152.8 | Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R. Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes Acta Crystallographica Section B, 2007, 63, 933-940 |
| 2102973 | CIF Paper | C13 H11 N3 O | P b c a | 7.1927; 21.2168; 28.6771 90; 90; 90 | 4376.3 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102974 | CIF Paper | C13 H10 F N3 O | P -1 | 7.4815; 11.1344; 14.5365 90.663; 104.903; 109.268 | 1098.45 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102975 | CIF Paper | C13 H10 F N3 O | P b c a | 13.191; 18.8057; 18.2843 90; 90; 90 | 4535.7 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102976 | CIF Paper | C13 H12 F N3 O2 | P 21 21 21 | 6.4189; 6.852; 27.3451 90; 90; 90 | 1202.7 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102977 | CIF Paper | C13 H10 Cl N3 O | P 1 21/c 1 | 7.9977; 6.7184; 22.5514 90; 98.609; 90 | 1198.07 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102978 | CIF Paper | C13 H10 Cl N3 O | P 1 21/n 1 | 7.4524; 11.2367; 14.3949 90; 102.701; 90 | 1175.94 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102979 | CIF Paper | C13 H10 Br N3 O | P 1 21/c 1 | 8.0268; 6.7134; 22.5024 90; 99.297; 90 | 1196.66 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102980 | CIF Paper | C13 H10 Br N3 O | P 1 21/n 1 | 7.4578; 11.3264; 14.3558 90; 101.119; 90 | 1189.87 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102981 | CIF Paper | C13 H12 Br N3 O2 | P 1 21/c 1 | 14.257; 14.6299; 14.1669 90; 119.152; 90 | 2580.61 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102982 | CIF Paper | C14 H13 N3 O2 | P 1 21/c 1 | 9.8899; 15.8189; 17.038 90; 97.236; 90 | 2644.32 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102983 | CIF Paper | C14 H13 N3 O2 | P 1 21/n 1 | 8.2938; 11.0771; 13.846 90; 103.478; 90 | 1237 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102984 | CIF Paper | C14 H15 N3 O3 | P 1 21/c 1 | 7.2702; 12.3085; 14.7299 90; 97.37; 90 | 1307.22 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102985 | CIF Paper | C15 H15 N3 O2 | P 1 21/c 1 | 8.3787; 18.245; 17.8701 90; 90.975; 90 | 2731.4 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102986 | CIF Paper | C15 H15 N3 O2 | P 1 21/c 1 | 24.206; 5.5637; 9.9571 90; 94.965; 90 | 1335.94 | Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers Acta Crystallographica Section B, 2007, 63, 879-895 |
| 2102987 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2988; 10.527; 5.3183 90; 90; 90 | 296.66 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102988 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2979; 10.529; 5.3139 90; 90; 90 | 296.42 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102989 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2968; 10.53; 5.3089 90; 90; 90 | 296.11 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102990 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2956; 10.532; 5.3055 90; 90; 90 | 295.91 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102991 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2959; 10.534; 5.3014 90; 90; 90 | 295.75 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102992 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2954; 10.534; 5.2952 90; 90; 90 | 295.38 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102993 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2934; 10.537; 5.2889 90; 90; 90 | 295 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102994 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2923; 10.539; 5.2864 90; 90; 90 | 294.85 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
| 2102995 | CIF Paper | O7 Sr V3 | P m m n :2 | 5.2914; 10.539; 5.2828 90; 90; 90 | 294.6 | Prinz, Sebastian; Sparta, Karine M.; Roth, Georg Temperature dependence of the <i>A</i>V~3~O~7~ (<i>A</i> = Ca, Sr) structure Acta Crystallographica Section B, 2007, 63, 836-842 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

