Crystallography Open Database
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Searching year of publication is 2005
COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544612 | CIF | O2 Si | ? | 26.786; 26.786; 13.3351 90; 90; 90 | 9567.8 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at -50 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 1544613 | CIF | O2 Si | ? | 26.808; 26.808; 13.394 90; 90; 90 | 9626 | Nakagawa, T.; Kihara, K.; Fujinami, S. X-ray studies of structural changes in melanophlogite with varying temperature : Sample at 60 C Journal of Mineralogical and Petrological Sciences, 2005, 100, 247-259 |
| 2100211 | CIF Paper | Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 | ?P? | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275) Acta Crystallographica Section B, 2005, 61, 145-153 |
| 2100218 | CIF Paper | C4 H9 Cd N7 Ni O0 | ?P? | 8.4867; 15.951; 7.604 90; 90.48; 90 | 1029.3 | Petříček, Václav; Dušek, Michal; Černák, Juraj Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~] Acta Crystallographica Section B, 2005, 61, 280-286 |
| 2100220 | CIF Paper | K5 Mo4 O16 Yb | ?P? | 10.4054; 6.1157; 19.7751 90; 136.625; 90 | 864.2 | Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example Acta Crystallographica Section B, 2005, 61, 400-406 |
| 9003667 | CIF | Ca Ge O5 Ti0.222 Zr0.778 | A -1 | 7.35292; 9.1; 6.75633 89.085; 113.024; 91.001 | 415.981 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti20, triclinically distorted titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003668 | CIF | Ca Ge O5 Ti0.114 Zr0.885 | A -1 | 7.38422; 9.12413; 6.76031 88.765; 112.877; 91.297 | 419.499 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti10, triclinically distorted titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003665 | CIF | Ca Ge O5 Ti0.807 Zr0.192 | A 1 2/a 1 | 7.1749; 8.93321; 6.67312 90; 113.6; 90 | 391.94 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti80, hi-T titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003666 | CIF | Ca Ge O5 Ti0.507 Zr0.492 | A 1 2/a 1 | 7.25821; 9.01791; 6.722 90; 113.351; 90 | 403.944 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti50, hi-T titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9004920 | CIF | Ca O5 Si Ti0.76 Zr0.24 | A 1 2/a 1 | 7.1136; 8.7724; 6.5987 90; 113.581; 90 | 377.395 | Liferovich, R. P.; Mitchell, R. H. Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues The Canadian Mineralogist, 2005, 43, 795-812 |
| 9004921 | CIF | Ca0.85 Na0.14 Nb0.15 O5 Si Ti0.7 Zr0.15 | A 1 2/a 1 | 7.1276; 8.7541; 6.6031 90; 113.847; 90 | 376.832 | Liferovich, R. P.; Mitchell, R. H. Composition and paragenesis of Na-, Nb-, and Zr-bearing titanite from Khibina, Russia, and crystal-structure data for synthetic analogues The Canadian Mineralogist, 2005, 43, 795-812 |
| 9007340 | CIF | Ca O5 Si Ti0.9 Zr0.1 | A 1 2/a 1 | 7.0788; 8.7378; 6.5754 90; 113.709; 90 | 372.383 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007341 | CIF | Ca O5 Si Ti0.81 Zr0.19 | A 1 2/a 1 | 7.0992; 8.758; 6.5894 90; 113.635; 90 | 375.329 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007342 | CIF | Ca O5 Si Ti0.71 Zr0.29 | A 1 2/a 1 | 7.1252; 8.7826; 6.6057 90; 113.553; 90 | 378.933 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007343 | CIF | Ca O5 Si Ti0.62 Zr0.38 | A 1 2/a 1 | 7.1481; 8.8011; 6.6171 90; 113.477; 90 | 381.829 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007344 | CIF | Ca O5 Si Ti0.51 Zr0.49 | A 1 2/a 1 | 7.1824; 8.8281; 6.6337 90; 113.369; 90 | 386.119 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 1535050 | CIF | Br2 Cu3 O6 Te2 | A 1 2/m 1 | 8.1999; 6.2781; 9.3186 90; 107.39; 90 | 457.793 | Becker, R.; Johnsson, M.; Kremer, R.K.; Lemmens, P. Crystal structure and magnetic properties of Cu3(TeO3)2Br2 - a layered compound with a new Cu(II) coordination polyhedron Journal of Solid State Chemistry, 2005, 178, 2024-2029 |
| 4310230 | CIF | C44 H148 Cu7 K14 N8 O183 Si3 W33 | A 1 2/m 1 | 12.546; 21.303; 37.932 90; 106.16; 90 | 9737 | Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Leire San Felices; Javier I. Beitia Inorganic-Metalorganic Hybrids Based on Copper(II)-Monosubstituted Keggin Polyanions and Dinuclear Copper(II)-Oxalate Complexes. Synthesis, X-ray Structural Characterization, and Magnetic Properties Inorganic Chemistry, 2005, 44, 9731-9742 |
| 9013491 | CIF | O2 Si | A 1 a 1 | 25.878; 5.001; 18.526 90; 117.69; 90 | 2122.98 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 298 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 9013492 | CIF | O2 Si | A 1 a 1 | 25.919; 5.004; 18.54 90; 117.72; 90 | 2128.64 | Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K. X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 373 K Journal of Mineralogical and Petrological Sciences, 2005, 100, 55-69 |
| 2206389 | CIF HKL Paper | C19 H20 N2 Ni O2 | A 21 a m | 7.529; 10.399; 21.555 90; 90; 90 | 1687.6 | You, Zhong-Lu [<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)-1,3-propanediaminato]nickel(II) Acta Crystallographica Section E, 2005, 61, m1637-m1638 |
| 1100858 | CIF | C27 H31 Fe2 N O2 Si | A b a 2 | 9.92; 34.927; 14.849 90; 90; 90 | 5144.6 | Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio Deprotonation of μ-Vinyliminium Ligands in Diiron Complexes: A Route for the Synthesis of Mono- and Polynuclear Species Containing Novel Multidentate Ligands Organometallics, 2005, 24, 2297-2306 |
| 2100267 | CIF Paper | C4 H8 O | A b a 2 | 9.3789; 13.658; 13.661 90; 90; 90 | 1749.9 | Dave Allan, D The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH) Acta Crystallographica Section B, 2005, 61, 449-454 |
| 2100268 | CIF Paper | C4 H8 O | A b a 2 | 9.3312; 13.642; 13.619 90; 90; 90 | 1733.6 | Dave Allan, D The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH) Acta Crystallographica Section B, 2005, 61, 449-454 |
| 2205529 | CIF HKL Paper | C18 H18 O8 | A b a 2 | 9.8562; 13.4978; 11.8371 90; 90; 90 | 1574.8 | Mao-Lin Hu; Ya-Qian Cheng; Shun Wang; Ji-Xin Yuan; Xiao-Qing Cai 6,6'-Dioxo-2,2-bi(7-oxatricyclo[3.2.1.1^3,8^]nonane)-4,4'-dicarboxylic acid Acta Crystallographica Section E, 2005, 61, o1196-o1197 |
| 4060562 | CIF | C24 H26 | A b a 2 | 18.2792; 22.9191; 8.519 90; 90; 90 | 3569 | Rowshan Ara Begum; Paul R. Sharp Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry Organometallics, 2005 |
| 4100318 | CIF | C44 H103 Cl12 Fe10 N15 | A b a 2 | 43.523; 23.303; 15.201 90; 90; 90 | 15417 | Journal of the American Chemical Society, 2005 |
| 4308706 | CIF | C24 H29 Cl O3 P2 Pt | A b a 2 | 32.453; 17.774; 8.834 90; 90; 90 | 5095.6 | Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex Inorganic Chemistry, 2005, 44, 1391-1403 |
| 4308717 | CIF | C56 H48 B F24 N2 P Pt | A b a 2 | 39.5675; 17.7672; 19.237 90; 90; 90 | 13524 | Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes Inorganic Chemistry, 2005, 44, 1248-1262 |
| 4310100 | CIF | C84 H124 Mn12 O48 | A b a 2 | 21.2382; 29.477; 19.4191 90; 90; 90 | 12157.1 | Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes Inorganic Chemistry, 2005, 44, 8659-8669 |
| 4505207 | CIF | C15 H26 Cl N3 | A b a 2 | 11.978; 37.836; 14.948 90; 90; 90 | 6774 | Said, Farouq F.; Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin Strong and Weak Hydrogen-Bonding Interactions in the Structures ofN,N‘,N‘ ‘-Trisubstituted Guanidinium Chlorides and Bromides Crystal Growth & Design, 2005, 5, 1881 |
| 7008457 | CIF | C48 H34 Cd N12 O2 | A b a 2 | 12.144; 40.776; 8.353 90; 90; 90 | 4136.3 | Ye, Qiong; Tang, Yu-Zhi; Wang, Xi-Sen; Xiong, Ren-Gen Strong enhancement of second-harmonic generation (SHG) response through multi-chiral centers and metal-coordination. Dalton transactions (Cambridge, England : 2003), 2005, 1570-1573 |
| 7100197 | CIF | C11 H10 N4 O | A b a 2 | 13.713; 6.977; 10.013 90; 90; 90 | 957.9 | Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents Chemical Communications, 2005 |
| 8000073 | CIF | C32 H40 Cl2 N6 O11 Tc | A b a 2 | 12.546; 25.351; 11.584 89; 90; 89 | 3684.3 | Takashi Yoshimura; Masanori Kawai; Tsutomu Takayama; Tsutomu Sekine; Hiroshi Kudo; Atsushi Shinohara A Novel Seven-coordinate Technetium(IV) Complex: Synthesis and Characterization of [TcO(tpen)]2+ (tpen \δb N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine) Chemistry Letters, 2005, 34, 1624 |
| 4111564 | CIF | C54 H93 B36 Cl4 Co2 Fe N7 | A b m 2 | 23.443; 25.146; 13.2883 90; 90; 90 | 7833.4 | Julien Bachmann; Daniel G. Nocera Multielectron Redox Chemistry of Iron Porphyrinogens Journal of the American Chemical Society, 2005, 127, 4730-4743 |
| 7100572 | CIF | C22 H26 N2 O | A e a 2 | 12.149; 20.4254; 7.2291 90; 90; 90 | 1793.89 | Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines Chemical Communications (Cambridge, United Kingdom), 2005, 5402-5404 |
| 4000567 | CIF | Ba Cu2 Se4 Sn | A m a 2 | 11.1215; 11.2373; 6.7531 90; 90; 90 | 843.97 | Chemistry of Materials, 2005 |
| 4100299 | CIF | C8 H9 N O S | A m a 2 | 9.2374; 18.966; 4.6027 90; 90; 90 | 806.37 | Journal of the American Chemical Society, 2005 |
| 9013974 | CIF | Ca2.5 H11 O12.5 Si3 | B 1 1 b | 6.735; 7.425; 27.987 90; 90; 123.25 | 1170.43 | Bonaccorsi, E.; Merlino, S. The crystal of tobermorite 14 A (plombierite) a CSH phase Journal of the American Ceramic Society, 2005, 88, 505-512 |
| 4505247 | CIF | C10 H24 Fe N2 O13 | B 1 21 1 | 14.521; 14.229; 68.443 90; 96.26; 90 | 14057.3 | Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases† Crystal Growth & Design, 2005, 5, 2225 |
| 4000656 | CIF | Fe3 Nd O9 Sr3 | B b m m | 5.5414; 5.4986; 28.81 90; 90; 90 | 877.8 | Barrier, N.; Pelloquin, D.; Nguyen, N.; Giot, M.; Bourrée, F.; Raveau, B. Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the Brownmillerite and K~2~NiF~4~-type Structures Chemistry of Materials, 2005, 17, 6619-6623 |
| 2014635 | CIF HKL Paper | C13 H9 N O | C -1 | 12.936; 33.696; 10.604 90.35; 120.67; 89.6 | 3975.5 | Britton, Doyle 4'-Hydroxybiphenyl-4-carbonitrile Acta Crystallographica Section C, 2005, 61, o35-o37 |
| 2100160 | CIF Paper | C12 H24 Cl Mn N6 O6 | C -1 | 30.5936; 18.8967; 12.8288 90.18; 111.561; 90.083 | 6897.5 | A. David Rae; Susanne Mossin; Henning O. Sørensen Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^- Acta Crystallographica Section B, 2005, 61, 407-417 |
| 4505241 | CIF | C10 H24 Mn N2 O13 | C -1 | 14.544; 28.47; 10.646 89.78; 126.43; 89.98 | 3547 | Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases† Crystal Growth & Design, 2005, 5, 2225 |
| 4505242 | CIF | C10 H24 Mn N2 O13 | C -1 | 14.73; 28.329; 10.786 89.95; 126.05; 90.05 | 3639 | Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases† Crystal Growth & Design, 2005, 5, 2225 |
| 9003671 | CIF | Al1.27 Fe0.42 K0.09 Mg2.13 Na0.46 O12 Si3.12 | C -1 | 5.31; 9.18; 9.754 96.2; 96.5; 89.9 | 469.621 | Kogure, T.; Miyawaki, R.; Banno, Y. The true structure of wonesite, an interlayer-deficient trioctahedral sodium mica American Mineralogist, 2005, 90, 725-731 |
| 9003676 | CIF | Mn5 O15 Si5 | C -1 | 9.8381; 10.5361; 12.2381 108.697; 103.335; 82.191 | 1166.56 | Nelson, W. R.; Griffen, D. T. Crystal chemistry of Zn-rich rhodonite ("fowlerite") Sample: 15-4018 Note: see samples 15-4029 and 15-4024 for plausible typical "fowlerite" and rhodonite cation distributions American Mineralogist, 2005, 90, 969-983 |
| 9003677 | CIF | Ca1.001 Fe0.209 Mg0.13 Mn3.275 O15 Si5 Zn0.41 | C -1 | 9.7718; 10.5084; 12.2256 108.606; 103.017; 82.482 | 1156.84 | Nelson, W. R.; Griffen, D. T. Crystal chemistry of Zn-rich rhodonite ("fowlerite") Sample: 15-4024 Note: this is a plausible typical cation distribution for "fowlerite" American Mineralogist, 2005, 90, 969-983 |
| 9003678 | CIF | Mn5 O15 Si5 | C -1 | 9.7999; 10.5176; 12.2365 108.587; 103.185; 82.32 | 1161.4 | Nelson, W. R.; Griffen, D. T. Crystal chemistry of Zn-rich rhodonite ("fowlerite") Sample: 15-4025 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions American Mineralogist, 2005, 90, 969-983 |
| 9003679 | CIF | Mn5 O15 Si5 | C -1 | 9.7902; 10.5184; 12.223 108.644; 103.159; 82.308 | 1158.78 | Nelson, W. R.; Griffen, D. T. Crystal chemistry of Zn-rich rhodonite ("fowlerite") Sample: 15-4026 Note: see samples 15-4029 and 15-4024 for plausible typical fowlerite and rhodonite cation distributions American Mineralogist, 2005, 90, 969-983 |
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