Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 5000183 | CIF | C H4 N2 S | P b n m | 5.488; 7.663; 8.564 90; 90; 90 | 360.16 | Takahashi, I.; Onodera, A.; Shiozaki, Y. Structural changes of thiourea in connection with its phase transitions: reappraisal of rigidity and libration of the molecule Acta Crystallographica Section B, 1990, 46, 661-664 |
| 5000192 | CIF | C11 H23 Br O | P 1 21 1 | 47.1; 5.26; 31.14 90; 132.9; 90 | 5651.43 | Rosen, L. S.; Hybl, A. The crystal structure of 11-bromoundecanol Acta Crystallographica Section B, 1972, 28, 610-617 |
| 5910043 | CIF Paper | C4 H7 N3 O2 | P 1 21/c 1 | 7.728; 9.817; 7.52 90; 100.5; 90 | 561 | M. Eisenstein Static deformation densities for cytosine and adenine Acta Crystallographica Section B, 1988, 44, 412-426 |
| 5910086 | CIF | K2 O13 W4 | P -3 | 15.566; 15.566; 3.746 90; 90; 120 | 786.1 | Okada, K.; Marumo, F.; Iwai, S. I. The crystal structure of K2 W4 O13 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3193-3195 |
| 5910115 | CIF Paper | C2 H6 O | P 1 c 1 | 5.377; 6.882; 8.255 90; 102.2; 90 | 298.6 | P.-G. Jönsson Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem., 1976, 32, 232-235 |
| 6000092 | CIF | Co O6 Pb2 W | I2/m | 7.9602; 5.6779; 5.6967 90; 90.047; 90 | 257.47 | Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B, 2000, 56, 570-576 |
| 6000193 | CIF Paper | C13 H36 Si4 | F m -3 m | 12.8902; 12.8902; 12.8902 90; 90; 90 | 2141.8 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000194 | CIF Paper | C12 H36 Si5 | F m -3 m | 13.5218; 13.5218; 13.5218 90; 90; 90 | 2472.31 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000195 | CIF Paper | C12 H36 Si5 | P 21 3 | 13.17158; 13.17158; 13.17158 90; 90; 90 | 2285.14 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000196 | CIF Paper | C13 H36 Si4 | P 21 3 | 12.609; 12.609; 12.609 90; 90; 90 | 2004.7 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000197 | CIF Paper | C13 H36 Si4 | P a -3 | 12.7876; 12.7876; 12.7876 90; 90; 90 | 2091.06 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000198 | CIF Paper | C15 H25 N O2 S | P 1 21/c 1 | 16.96; 8.1382; 11.781 90; 104.777; 90 | 1572.28 | Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher 2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors Acta Crystallographica Section B, 1999, 55, 1068-1074 |
| 6000447 | CIF | C8 H24 N2 O4 S | F | 11.026; 11.026; 11.026 90; 90; 90 | 1340.46 | Malchus, M.; Jansen, M. Structural investigations of the phase transitions of tetramethylammonium sulfate Acta Crystallographica B, 1998, 54, 494-502 |
| 6000571 | CIF | Cs D O4 S | P 1 21/c 1 | 7.7801; 8.1392; 7.7219 90; 110.872; 90 | 456.89 | Belushkin, A. V.; David, W. I. F.; Ibberson, R. M.; Shuvalov, L. A. High-resolution neutron powder diffraction studies of the structure of CsDSO4 Acta Crystallographica B, 1991, 47, 161-166 |
| 6000576 | CIF | C D6 I N | P b m a | 7.1743; 7.0967; 8.8323 90; 90; 90 | 449.69 | Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J. Neutron-diffraction and calorimetric studies of methylammonium iodide Acta Crystallographica B, 1992, 48, 329-336 |
| 9007500 | CIF | Ag3 As S3 | C 1 2/c 1 | 12; 6.26; 17.08 90; 110; 90 | 1205.67 | Engel, P.; Nowacki, W. Die kristallstruktur von Ag3AsS3 Acta Crystallographica, Section B, 1968, 24, 77-81 |
| 9007501 | CIF | Cu H6 O7 S | C 1 c 1 | 5.592; 13.029; 7.341 90; 97.05; 90 | 530.808 | Zahrobsky, R. F.; Baur, W. H. On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic Acta Crystallographica, Section B, 1968, 24, 508-513 |
| 9007502 | CIF | Fe1.08 H11.25 Mg0.2 Mn0.25 O16 S2 Zn0.47 | P 1 21/n 1 | 10.526; 17.872; 7.136 90; 100.13; 90 | 1321.5 | Susse P Die kristallstruktur des botryogens Locality: Rammelsberg mine near Goslar, Germany Acta Crystallographica, Section B, 1968, 24, 760-767 |
| 9007503 | CIF | Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095 | P n m m :2 | 8.7126; 5.8108; 18.5214 90; 90; 90 | 937.686 | Donnay G; Allmann R Si3O10 groups in the crystal structure of ardennite Acta Crystallographica, Section B, 1968, 24, 845-855 |
| 9007504 | CIF | As2 H8 O9 | P 1 21/c 1 | 7.6; 13.29; 8.24 90; 109.6; 90 | 784.049 | Worzala, H. Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O Acta Crystallographica, Section B, 1968, 24, 987-991 |
| 9007505 | CIF | Ca Cu2.64 H12 O17 S2 Zn1.36 | C 1 2/c 1 | 22.186; 6.25; 21.853 90; 113.36; 90 | 2781.81 | Sabelli, C.; Zanazzi, P. F. The crystal structure of serpierite Acta Crystallographica, Section B, 1968, 24, 1214-1221 |
| 9007506 | CIF | Al3 B Fe0.1 Mg0.9 O9 Si | P b n m | 10.335; 10.978; 5.76 90; 90; 90 | 653.516 | Stephenson, D. A.; Moore, P. B. The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9 Acta Crystallographica, Section B, 1968, 24, 1518-1522 |
| 9007507 | CIF | B F4 Na | C m c m | 6.8368; 6.2619; 6.7916 90; 90; 90 | 290.758 | Brunton, G. Refinement of the structure of NaBF4 Acta Crystallographica, Section B, 1968, 24, 1703-1704 |
| 9007508 | CIF | B F4 K | P n m a | 8.6588; 5.48; 7.0299 90; 90; 90 | 333.57 | Brunton, G. The crystal structure of KBF4 Acta Crystallographica, Section B, 1969, 25, 2161-2162 |
| 9007509 | CIF | Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79 | A 1 2/m 1 | 8.83; 5.9; 19.17 90; 97.12; 90 | 990.998 | Galli, E.; Alberti, A. On the crystal structure of pumpellyite Acta Crystallographica, Section B, 1969, 25, 2276-2281 |
| 9007510 | CIF | Ag5 S4 Sb | C m c 21 | 7.873; 12.467; 8.583 90; 90; 90 | 842.445 | Ribar, B.; Nowacki, W. Die kristallstruktur von stephanit, [SbS3|S|Ag5] Acta Crystallographica, Section B, 1970, 26, 201-207 |
| 9007511 | CIF | As2 Ca2 H2 O8 | P -1 | 7.0591; 6.8906; 7.2006 97.43; 103.55; 87.75 | 337.625 | Ferraris, G.; Chiari, G. The crystal structure of CaHAsO4 (weilite) Acta Crystallographica, Section B, 1970, 26, 403-409 |
| 9007512 | CIF | Ca2 H4 Mn O10 P2 | P -1 | 5.79; 6.57; 5.51 102.27; 108.67; 90.3 | 193.428 | Fanfani, L.; Nunzi, A.; Zanazzi, P. F. The crystal structure of fairfieldite Acta Crystallographica, Section B, 1970, 26, 640-645 |
| 9007513 | CIF | Al H3 O3 | P -1 | 5.114; 5.082; 5.127 70.27; 74; 58.47 | 106.089 | Bosmans, H. J. Unit cell and crystal structure of nordstrandite, Al(OH)3 Acta Crystallographica, Section B, 1970, 26, 649-652 |
| 9007514 | CIF | Cu7 S4 | P n m a | 7.89; 7.84; 11.01 90; 90; 90 | 681.052 | Koto, K.; Morimoto, N. The crystal structure of anilite Acta Crystallographica, Section B, 1970, 26, 915-924 |
| 9007515 | CIF | As H15 Na2 O11 | P 1 21/n 1 | 9.401; 11.025; 10.674 90; 95.5; 90 | 1101.22 | Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596 |
| 9007516 | CIF | H15 Na2 O11 P | P 1 21/n 1 | 9.258; 11.007; 10.437 90; 95.61; 90 | 1058.47 | Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596 |
| 9007517 | CIF | As Cu3 S4 | P m n 21 | 7.407; 6.436; 6.154 90; 90; 90 | 293.37 | Adiwidjaja, G.; Lohn, J. Strukturverfeinerung von enargit, Cu3AsS4 Acta Crystallographica, Section B, 1970, 26, 1878-1879 |
| 9007518 | CIF | As Ca H5 O6 | I 1 a 1 | 5.9745; 15.434; 6.2797 90; 114.83; 90 | 525.525 | Ferraris, G.; Jones, D. W.; Yerkess, J. Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction Acta Crystallographica, Section B, 1971, 27, 349-354 |
| 9007519 | CIF | C11 H10 O2 S | P 21 21 21 | 18.331; 9.012; 5.949 90; 90; 90 | 982.769 | Christensen, A. T.; Thom, E. The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione Acta Crystallographica, Section B, 1971, 27, 581-586 |
| 9007520 | CIF | Mn2 O3 | P c a b | 9.4157; 9.4233; 9.4047 90; 90; 90 | 834.45 | Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Acta Crystallographica, Section B, 1971, 27, 821-828 |
| 9007521 | CIF | Fe0.034 Mn1.966 O3 | I a -3 | 9.4146; 9.4146; 9.4146 90; 90; 90 | 834.46 | Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (MnO.983Fe0.017)203 Acta Crystallographica, Section B, 1971, 27, 821-828 |
| 9007522 | CIF | Fe1.26 Mn0.74 O3 | I a -3 | 9.4126; 9.4126; 9.4126 90; 90; 90 | 833.928 | Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (Mn0.37Fe0.63)2O3 Acta Crystallographica, Section B, 1971, 27, 821-828 |
| 9007523 | CIF | C2 H5 N O | R 3 c :H | 11.526; 11.526; 13.589 90; 90; 120 | 1563.42 | Denne, W. A.; Small, R. W. H. A refinement of the structure of rhombohedral acetamide Acta Crystallographica, Section B, 1971, 27, 1094-1098 |
| 9007524 | CIF | Bi Cu Pb S3 | P n m a | 11.608; 4.0279; 11.275 90; 90; 90 | 527.172 | Kohatsu, I.; Wuensch, B. J. The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso Acta Crystallographica, Section B, 1971, 27, 1245-1252 |
| 9007525 | CIF | Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069 | P 1 21/c 1 | 7.437; 5.664; 18.843 90; 101.38; 90 | 778.122 | Galli, E.; Alberti, A. The crystal structure of rinkite Acta Crystallographica, Section B, 1971, 27, 1277-1284 |
| 9007526 | CIF | O4 Si Zn2 | I -4 2 d | 7.0069; 7.0069; 6.4637 90; 90; 90 | 317.346 | Marumo, F.; Syono, Y. The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite Acta Crystallographica, Section B, 1971, 27, 1868-1870 |
| 9007527 | CIF | H15.479 Na6.335 O32.335 P2 | P -3 c 1 | 11.89; 11.89; 12.671 90; 90; 120 | 1551.33 | Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132 |
| 9007528 | CIF | H15.454 Na6.31 O32.31 V2 | P -3 c 1 | 12.038; 12.038; 12.833 90; 90; 120 | 1610.53 | Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132 |
| 9007529 | CIF | As2 H15.404 Na6.26 O32.26 | P -3 c 1 | 12.017; 12.017; 12.783 90; 90; 120 | 1598.66 | Tillmanns, E.; Baur, W. H. On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts Acta Crystallographica, Section B, 1971, 27, 2124-2132 |
| 9007530 | CIF | O2 Si | P 42/m n m | 4.179; 4.179; 2.6649 90; 90; 90 | 46.54 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
| 9007531 | CIF | O2 Ti | P 42/m n m | 4.5941; 4.5941; 2.9589 90; 90; 90 | 62.45 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
| 9007532 | CIF | Ge O2 | P 42/m n m | 4.3975; 4.3975; 2.8625 90; 90; 90 | 55.355 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
| 9007533 | CIF | O2 Sn | P 42/m n m | 4.738; 4.738; 3.1865 90; 90; 90 | 71.533 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
| 9007534 | CIF | F2 Mg | P 42/m n m | 4.6213; 4.6213; 3.0159 90; 90; 90 | 64.409 | Baur, W. H.; Khan, A. A. Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Acta Crystallographica, Section B, 1971, 27, 2133-2139 |
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