Crystallography Open Database
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| 1534580 | CIF | Co6 Ge6 Mg | P 6/m m m | 5.0709; 5.0709; 7.7446 90; 90; 120 | 172.465 | Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P. Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6 Chemistry - A European Journal, 2006, 12, 1924-1930 |
| 1536439 | CIF | C K2 O2.4999 | P 63/m m c | 5.69484; 5.69484; 7.33013 90; 90; 120 | 205.876 | Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C. Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs) Chemistry - A European Journal, 2005, 11, 1119-1129 |
| 3000048 | CIF | Al0.84 N1.69 O35.24 Zn2.16 | R -3 m :H | 3.080972; 3.080972; 26.778308 90; 90; 120 | 220.135 | Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites Chemistry - A European Journal, 2015, 21, 14975-14986 |
| 1536441 | CIF | C O3 Rb2 | P 63/m m c | 5.89596; 5.89596; 7.80268 90; 90; 120 | 234.9 | Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C. Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs) Chemistry - A European Journal, 2005, 11, 1119-1129 |
| 1534958 | CIF | N9 Sb | R -3 :R | 7.6998; 7.6998; 7.6998 55.787; 55.787; 55.787 | 291.257 | Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O. First structural characterization of binary As(III) and Sb(III) azides Chemistry - A European Journal, 2004, 10, 508-517 |
| 1535833 | CIF | C2 K N3 | P b c m | 8.36518; 6.46898; 7.21266 90; 90; 90 | 390.307 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535841 | CIF | C2 K N3 | P n m a | 8.55404; 3.87802; 12.5273 90; 90; 90 | 415.565 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535837 | CIF | C2 K N3 | P 1 21/n 1 | 7.26924; 15.96335; 3.87037 90; 111.878; 90 | 416.777 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1536449 | CIF | C O3 Rb2 | P 1 21/c 1 | 5.8745; 10.129; 7.30725 90; 97.2921; 90 | 431.285 | Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C. Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs) Chemistry - A European Journal, 2005, 11, 1119-1129 |
| 1535848 | CIF | C2 N3 Rb | P b c m | 8.56092; 6.61711; 7.65067 90; 90; 90 | 433.399 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535475 | CIF | Hg K2 Se4 Sn | I -4 2 m | 8.0681; 8.0681; 6.9497 90; 90; 90 | 452.385 | Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S. Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-} Chemistry - A European Journal, 2004, 10, 5147-5157 |
| 1536445 | CIF | C O3 Rb2 | P n m a | 7.684; 5.8912; 10.1437 90; 90; 90 | 459.185 | Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S. Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs) Chemistry - A European Journal, 2005, 11, 1119-1129 |
| 1536486 | CIF | La Se Te2 | C m c m | 4.309; 25.481; 4.321 90; 90; 90 | 474.436 | Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T. La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound Chemistry - A European Journal, 2003, 9, 5865-5872 |
| 1528730 | CIF | Bi2 O6 W | B 2 c b | 5.533997; 5.49983; 16.55071 90; 90; 90 | 503.738 | McDowell, N.A.; Knight, K.S.; Lightfoot, P. Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6 Chemistry - A European Journal, 2006, 12, 1493-1499 |
| 1535148 | CIF | As Cu F7 | I m m a | 10.732; 6.941; 6.814 90; 90; 90 | 507.58 | Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A. Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6 Chemistry - A European Journal, 2004, 10, 5052-5058 |
| 1510869 | CIF | B29 Na2 | I 1 m 1 | 5.874; 10.403; 8.359 90; 90.17; 90 | 510.793 | Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M. "Na B15": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy Chemistry - A European Journal, 2000, 6, 2531-2536 |
| 1528731 | CIF | Bi2 O6 W | A 1 2/m 1 | 8.37422; 3.854296; 16.44044 90; 102.334; 90 | 518.396 | McDowell, N.A.; Knight, K.S.; Lightfoot, P. Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6 Chemistry - A European Journal, 2006, 12, 1493-1499 |
| 6000243 | CIF | N7 Na P4 | C 1 2/c 1 | 12.3345; 8.523; 5.1397 90; 102.572; 90 | 527.37 | Landskron, K.; Irran, E.; Schnick, W. High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction Chemistry - a European Journal, 1999, 5, 2548-2553 |
| 1536929 | CIF | Fe17.426 Yb1.787 | P 63/m m c | 8.5965; 8.5965; 8.3871 90; 90; 120 | 536.767 | Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I. Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy Chemistry - A European Journal, 2004, 10, 2972-2976 |
| 1510376 | CIF | Au2 Cd2 Rb2 S4 | P c c a | 13.93; 5.757; 6.742 90; 90; 90 | 540.675 | Kanatzidis, M.G.; Axtell, E.A. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
| 1536387 | CIF | In4 La Ni | C m c m | 4.482; 16.895; 7.221 90; 90; 90 | 546.799 | Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R. New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4 Chemistry - A European Journal, 2001, 7, 5343-5349 |
| 1510375 | CIF | Au2 Cd2 Cs2 S4 | C m m a | 6.5833; 14.055; 6.0369 90; 90; 90 | 558.584 | Axtell, E.A.; Kanatzidis, M.G. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
| 6000244 | CIF | K N7 P4 | P n m a | 12.2387; 9.8485; 4.6651 90; 90; 90 | 562.3 | Landskron, K.; Irran, E.; Schnick, W. High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction Chemistry - a European Journal, 1999, 5, 2548-2553 |
| 6000245 | CIF | N7 P4 Rb | P n m a | 12.3107; 9.8946; 4.6844 90; 90; 90 | 570.6 | Landskron, K.; Irran, E.; Schnick, W. High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction Chemistry - a European Journal, 1999, 5, 2548-2553 |
| 1534962 | CIF | As N9 | P 1 21/c 1 | 7.3263; 11.7162; 6.9865 90; 107.219; 90 | 572.818 | Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O. First Structural Characterization of Binary AsIII and SbIII Azides Chemistry - A European Journal, 2004, 10, 508-517 |
| 6000246 | CIF | Cs N7 P4 | P n m a | 12.4205; 9.9782; 4.7162 90; 90; 90 | 584.5 | Landskron, K.; Irran, E.; Schnick, W. High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction Chemistry - a European Journal, 1999, 5, 2548-2553 |
| 1100224 | CIF | C11 H19 N O3 | P -1 | 5.6138; 7.0575; 15.9015 96.654; 95.454; 109.173 | 585.075 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1528801 | CIF | C2 H6 Mn O6 | P 1 21/c 1 | 8.808; 7.2136; 9.6203 90; 97.693; 90 | 605.747 | Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite) Chemistry - A European Journal, 2007, 13, 9775-9790 |
| 1536437 | CIF | C2 O6 Rb2 | P 1 21/c 1 | 7.91288; 10.51173; 7.55593 90; 102.001; 90 | 614.75 | Dinnebier, R.E.; Vensky, S.; Jansen, M. Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6) Chemistry - A European Journal, 2003, 9, 4391-4395 |
| 1535230 | CIF | H9 O15 P3 Zn2.5 | P -1 | 8.475; 9.869; 9.889 112.06; 111.97; 96.99 | 677.004 | Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Chemistry - A European Journal, 2004, 10, 2795-2803 |
| 1100201 | CIF | C14 H12 Cl2 O S | P 1 | 9.018; 9.6771; 9.974 71.564; 62.985; 62.938 | 683.92 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1511450 | CIF | B Ba4 N26 O Si12 Sm7 | P -6 | 12.1597; 12.1597; 5.428 90; 90; 120 | 695.05 | Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D. Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3) Chemistry - A European Journal, 2001, 7, 2791-2797 |
| 1100202 | CIF | C14 H12 Br Cl O S | P 1 | 9.1121; 9.7596; 9.9764 84.681; 62.893; 63.397 | 699.198 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1511448 | CIF | B Ba4 N26 Nd7 O Si12 | P -6 | 12.2255; 12.2255; 5.446 90; 90; 120 | 704.923 | Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R. Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3) Chemistry - A European Journal, 2001, 7, 2791-2797 |
| 1100177 | CIF | C15 H15 Cl O S | P 1 21 1 | 7.685; 5.006; 18.58 90; 97.94; 90 | 707.941 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1511449 | CIF | B Ba4 N26 O Pr7 Si12 | P -6 | 12.2568; 12.2568; 5.4483 90; 90; 120 | 708.836 | Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D. Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3) Chemistry - A European Journal, 2001, 7, 2791-2797 |
| 1541849 | CIF | C4 H2 Mn N6 O | A m a 2 | 7.5743; 17.45329; 5.6353 90; 90; 90 | 744.967 | Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B. Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide Chemistry - A European Journal, 2000, 6, 3186-3195 |
| 1525952 | CIF | Al3 H7 O16 Pb2 Si3 | P -4 3 n | 9.07; 9.07; 9.07 90; 90; 90 | 746.143 | Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J. Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy Chemistry - A European Journal, 2000, 6, 292-297 |
| 1536176 | CIF | Ba P4 Te2 | P n m a | 16.486; 6.484; 7.076 90; 90; 90 | 756.391 | Joergens, S.; Johrendt, D.; Mewis, A. Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus Chemistry - A European Journal, 2003, 9, 2405-2410 |
| 1100221 | CIF | C7 H10 Cl N O2 | P 1 21/c 1 | 5.3339; 12.4601; 11.8203 90; 93.864; 90 | 783.802 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1100244 | CIF | C19 H23 N O | P 1 21 1 | 11.657; 5.3217; 13.483 90; 107.81; 90 | 796.334 | Bach, Thorsten; Brummerhop, Harm; Harms, Klaus The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles Chemistry - A European Journal, 2000, 6, 3838-3848 |
| 1536932 | CIF | Fe11.21 Ga0.27 Yb1.26 | P 63/m m c | 8.5965; 8.5965; 12.5806 90; 90; 120 | 805.147 | Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K. Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy Chemistry - A European Journal, 2004, 10, 2972-2976 |
| 1100226 | CIF | C16 H27 N O3 | P -1 | 9.3539; 9.4338; 10.2406 91.805; 104.889; 109.986 | 813.611 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones Chemistry - A European Journal, 2001, 7, 2581-2594 |
| 1560296 | CIF | C6 H9 N3 O4 | P 1 21/n 1 | 12.191; 5.344; 13.545 90; 112.401; 90 | 815.8 | Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction Chemistry - A European Journal, 2007, 13, 6139-6149 |
| 1100644 | CIF | C30 H40 Cl2 N2 O6 Zn2 | P -1 | 8.6024; 10.1643; 10.2254 86.61; 79.601; 69.707 | 824.81 | Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal, 1998, 4, 814-817 |
| 1528523 | CIF | Cl0.5 Eu H4.1 O3.3 | P 21 21 2 | 12.9152; 7.3761; 8.7016 90; 90; 90 | 828.948 | Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F. New layered rare-earth hydroxides with anion-exchange properties Chemistry - A European Journal, 2008, 14, 9255-9260 |
| 1560297 | CIF | C6 H9 N3 O4 | P 1 21/c 1 | 4.4215; 20.224; 9.3 90; 93.496; 90 | 830.1 | Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction Chemistry - A European Journal, 2007, 13, 6139-6149 |
| 1004032 | CIF | C12 H43 F6 Ga5 N4 O22 P4 | P -1 | 8.735; 8.864; 12.636 98.36; 100.18; 115.84 | 838.9 | Josien, L.; Simon, A.; Gramlich, V.; Patarin, J. Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23 Chemistry - A European Journal, 2002, 8, 1614-1620 |
| 1573952 | CIF | C14 H14 Co N4 O2 S2 | P -1 | 8.9702; 10.4183; 10.8645 66.2; 67.928; 82.794 | 860.49 | MichaĆ Rams; Aleksej Jochim; Michael Böhme; Thomas Lohmiller; Magdalena Ceglarska; Marek M. Rams; Alexander Schnegg; Winfried Plass; Christian Näther Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain Chemistry - A European Journal, 2020, 26, 2837-2851 |
| 1536390 | CIF | In5.64 La Ni7.36 | I b a m | 8.066; 9.248; 12.465 90; 90; 90 | 929.819 | Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R. New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4 Chemistry - A European Journal, 2001, 7, 5343-5349 |
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