Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000035 | CIF | Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 | C 1 2/c 1 | 9.699; 8.844; 5.272 90; 106.97; 90 | 432.5 | Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers, 1969, 2, 31-50 |
| 1000285 | CIF | Bi2 Ca Cu2 O8 Sr2 | A m a a | 5.4054; 5.4016; 30.7152 90; 90; 90 | 896.8 | Hervieu, M; Michel, C; Domenges, B; Laligant, Y; Lebail, A; Ferey, G; Raveau, B Electron microscopy study of the superconductor "Bi~2~ Sr~2~ Ca Cu~2~ O~8~" Modern Physics Letters B, 1988, 2, 491-500 |
| 1000439 | CIF | F4 Fe Rb | P m a b | 7.6651; 7.6316; 6.2789 90; 90; 90 | 367.3 | Moron, M C; Bulou, A; Pique, C; Fourquet, J L Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase Journal of Physics: Condensed Matter, 1990, 2, 8269-8275 |
| 1000467 | CIF | Al F3 | R -3 c :H | 4.9305; 4.9305; 12.4462 90; 90; 120 | 262 | Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum Journal of Physics: Condensed Matter, 1990, 2, 5663-5677 |
| 1001420 | CIF | Ba2 Ca1.07 Cu2 O8 Tl1.93 | I 4/m m m | 3.86; 3.86; 29.388 90; 90; 90 | 437.9 | Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity Modern Physics Letters B, 1988, 2, 681-687 |
| 1001508 | CIF | Ba4 Na2 Nb10 O30 | B b m 2 | 35.1869; 17.6202; 7.9876 90; 90; 90 | 4952.3 | Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C X-ray structural determination of the quasi-commensurate phase of barium sodium niobate Journal of Physics: Condensed Matter, 1989, 2, 25-43 |
| 1004010 | CIF | C6 H18 Al F5 N2 | P 1 21 1 | 7.898; 5.514; 12.672 90; 103.69; 90 | 536.182 | S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences, 2000, 2, 143 |
| 1004098 | CIF | Cl6 H2 In K3 O | I 4 m m | 15.723; 15.723; 18.069 90; 90; 90 | 4466.9 | Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O Reviews in Inorganic Chemistry, 1980, 2, 207-217 |
| 1006028 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4989; 8.4989; 5.7973 90; 90; 90 | 418.7 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006029 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4988; 8.4988; 5.7976 90; 90; 90 | 418.8 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006030 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4987; 8.4987; 5.7999 90; 90; 90 | 418.9 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006031 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.5039; 8.5039; 5.8202 90; 90; 90 | 420.9 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1007040 | CIF | Ho O14 P5 | C 1 2/c 1 | 12.881; 12.771; 12.424 90; 91.34; 90 | 2043.2 | Bagieu, M; Tordjman, I; Durif, A; Bassi, G Holmium ultraphosphate, Ho P~5~ O~14~ Crystal Structure Communications, 1973, 2, 387-390 |
| 1007056 | CIF | Cd3 H28 O32 P6 | P -3 | 12.228; 12.228; 5.451 90; 90; 120 | 705.9 | Averbuch-Pouchot, M T; Durif, A; Tordjman, I Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Crystal Structure Communications, 1973, 2, 89-90 |
| 1008610 | CIF | F2.05 Pb0.975 Th0.025 | F m -3 m | 5.9454; 5.9454; 5.9454 90; 90; 90 | 210.2 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008611 | CIF | F2.1 Pb0.95 Th0.05 | F m -3 m | 5.9465; 5.9465; 5.9465 90; 90; 90 | 210.3 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008612 | CIF | F2.2 Pb0.9 Th0.1 | F m -3 m | 5.9528; 5.9528; 5.9528 90; 90; 90 | 210.9 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008613 | CIF | F2.25 Pb0.875 Th0.125 | F m -3 m | 5.957; 5.957; 5.957 90; 90; 90 | 211.4 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008614 | CIF | F2.3 Pb0.85 Th0.15 | F m -3 m | 5.9581; 5.9581; 5.9581 90; 90; 90 | 211.5 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008615 | CIF | F2.4 Pb0.8 Th0.2 | F m -3 m | 5.9644; 5.9644; 5.9644 90; 90; 90 | 212.2 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008616 | CIF | F2.46 Pb0.77 Th0.23 | F m -3 m | 5.9687; 5.9687; 5.9687 90; 90; 90 | 212.6 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffracton de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008794 | CIF | Co F6 Zr | R -3 :H | 5.466; 5.466; 13.982 90; 90; 120 | 361.8 | Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter, 1990, 2, 7373-7386 |
| 1008795 | CIF | Co F6 Zr | F m -3 m | 7.989; 7.989; 7.989 90; 90; 90 | 509.9 | Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter, 1990, 2, 7373-7386 |
| 1008939 | CIF | Fe Nd O4 Sr | I 4/m m m | 3.846; 3.846; 12.594 90; 90; 90 | 186.3 | Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry, 1970, 2, 343-346 |
| 1008940 | CIF | Fe Nd O4 Sr | I 4/m m m | 3.846; 3.846; 12.594 90; 90; 90 | 186.3 | Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry, 1970, 2, 343-346 |
| 1009075 | CIF | O5 S2 Sm2 Ti2 | I 4/m m m | 3.819; 3.819; 22.96399 90; 90; 90 | 334.9 | Boyer, C; Deudon, C; Meerschaut, A Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound C. R. Acad. Sci. Paris, T. 1, Serie II, 1999, 2, 93-99 |
| 1010304 | CIF | H6 N O2 P | A b m m | 3.98; 7.57; 11.47 90; 90; 90 | 345.6 | Zachariasen, W H; Mooney, R C L The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite Journal of Chemical Physics, 1934, 2, 34-37 |
| 1010322 | CIF | Ag0.5 Au0.5 Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics, 1934, 2, 419-421 |
| 1010323 | CIF | Au Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics, 1934, 2, 419-421 |
| 1100033 | CIF | N Ti | F m -3 m | 4.242; 4.242; 4.242 90; 90; 90 | 76.3 | Ehrlich, P; Juza, R Fiat Review of German Science, 1948, 2, 64-64 |
| 1100427 | CIF | C48 H108 Li12 O24 | R -3 :H | 20.799; 20.799; 14.501 90; 90; 120 | 5432.67 | Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael [Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid Chemistry - A European Journal, 1996, 2, 604-607 |
| 1101045 | CIF | N Ti | F m -3 m | 4.244; 4.244; 4.244 90; 90; 90 | 76.4 | Ehrlich, P; Juza, R Review of German Science, 1939-1946, Inorganic Chemistry. Fiat Review of German Science, 1948, 2, 64-64 |
| 1507213 | CIF | C48 H96 Al21 Na21 O216 Si75 | P 63/m m c | 17.215; 17.215; 28.082 90; 90; 120 | 7207.3 | Baerlocher, Ch.; McCusker, L.B.; Chiappetta, R. Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement of the calcined ans as-synthesized forms Microporous Materials, 1994, 2, 269-280 |
| 1507546 | CIF | C17 H21 N O4 | P 1 21 1 | 11.335; 5.24; 13.442 90; 104.1; 90 | 774.3 | McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N. An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane Organic Letters, 2000, 2, 1457 |
| 1507547 | CIF | C5 H7 N O3 | C 1 2 1 | 18.672; 9.6069; 6.5761 90; 97.519; 90 | 1169.48 | Cheng, Jianjun; Ziller, Joseph W.; Deming, Timothy J. Synthesis of Optically Active β-Amino AcidN-Carboxyanhydrides Organic Letters, 2000, 2, 1943 |
| 1507548 | CIF | C17 H27 N O3 | P -1 | 7.295; 10.9; 11.366 76.21; 88.53; 76.68 | 853.7 | Deiters, Alexander; Mück-Lichtenfeld, Christian; Fröhlich, Roland; Hoppe, Dieter Asymmetric Synthesis of a (2Z,7E)-Cyclononadiene by an Intramolecular Cycloalkylation and Insight to Its Conformational Properties Organic Letters, 2000, 2, 2415 |
| 1507549 | CIF | C80 H100 F12 N4 O20 P2 | P 1 21 1 | 12.044; 25.471; 14.6318 90; 113.524; 90 | 4115.6 | Chang, Theresa; Heiss, Aaron M.; Cantrill, Stuart J.; Fyfe, Matthew C. T.; Pease, Anthony R.; Rowan, Stuart J.; Stoddart, J. Fraser; Williams, David J. Toward Interlocked Molecules beyond Catenanes and Rotaxanes Organic Letters, 2000, 2, 2943 |
| 1507550 | CIF | C19 H20 N2 O S2 | C 1 2/c 1 | 27.3; 9.301; 17.584 90; 129.37; 90 | 3452 | Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters, 2000, 2, 3785 |
| 1507551 | CIF | C19 H20 N2 O | P 21 21 21 | 7.5911; 13.9115; 14.3428 90; 90; 90 | 1514.7 | Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters, 2000, 2, 3785 |
| 1507552 | CIF | C10 H14 O3 | C 1 2/c 1 | 24.808; 5.9534; 13.2719 90; 96.887; 90 | 1946 | Paczkowski, Ralph; Maichle-Mössmer, Cäcilia; Maier, Martin E. A Formal Total Synthesis of Dysidiolide Organic Letters, 2000, 2, 3967 |
| 1507553 | CIF | C15 H15 N2 O4 | P 1 21/n 1 | 16.744; 4.719; 19.995 90; 102.7; 90 | 1541.25 | Gunda, Tamas E. Rearrangement and Degradation of Cephalosporins and Penicillins in the Presence of Mercury(II) Trifluoroacetate Organic Letters, 2000, 2, 103 |
| 1507554 | CIF | C22 H23 N O4 | P 32 | 11.144; 11.144; 27.418 90; 90; 120 | 2948.8 | Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes Organic Letters, 2000, 2, 585 |
| 1507756 | CIF | Ba O3 Ti | P 4 m m | 3.9999; 3.9999; 4.017 90; 90; 90 | 64.269 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1507757 | CIF | Ba O3 Ti | P m -3 m | 4.0073; 4.0073; 4.0073 90; 90; 90 | 64.351 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1508004 | CIF | C40 H60 Hf2 N2 Si2 | P 1 21/n 1 | 11.2764; 26.267; 13.5398 90; 96.524; 90 | 3984.5 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508005 | CIF | C42 H60 Hf2 N2 O2 Si2 | P -1 | 8.7137; 13.6257; 17.4952 96.123; 92.498; 95.596 | 2052.5 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508006 | CIF | C41 H60 Hf2 N2 O Si2 | P -1 | 10.7033; 13.8345; 14.9713 91.954; 104.98; 109.366 | 2002.83 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508007 | CIF | C17 H26 O | P 21 21 21 | 6.5955; 7.882; 29.1769 90; 90; 90 | 1516.78 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
| 1508008 | CIF | C15 H20 O2 | C 1 2/c 1 | 15.7972; 6.3827; 26.214 90; 96.5673; 90 | 2625.78 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
| 1508009 | CIF | C34 H52 O | P 1 21 1 | 16.2591; 9.4526; 18.8939 90; 95.508; 90 | 2890.41 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
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