Crystallography Open Database
Search results
Result: there are 326 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 | archive of CIF files (ZIP)
Searching space group like 'I 1 2/m 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000046 | CIF | Ca5 H10 O22 Si6 | I 1 2/m 1 | 5.593; 3.645; 22.45599 90; 96.97; 90 | 454.4 | Hoffmann, C; Armbruster, T Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure Zeitschrift fuer Kristallographie (149,1979-), 1997, 212, 863-873 |
1008058 | CIF | Ni Rh2 Se4 | I 1 2/m 1 | 6.2821; 3.6491; 10.844 90; 92.24; 90 | 248.4 | Bouchard, R J The crystal structure and transport properties of Ni Rh~2~ Se~4~ Inorganic Chemistry, 1969, 8, 850-856 |
1008079 | CIF | Cr2 Ni S4 | I 1 2/m 1 | 5.94; 3.42; 11.14 90; 91.05; 90 | 226.3 | Andron, B; Bertaut, E F Etude par Diffraction neutronique de Cr~2~ Ni S~4~ Journal de Physique (Paris), 1966, 27, 619-626 |
1008813 | CIF | Ba1.2 Mg1.2 O16 Ti6.8 | I 1 2/m 1 | 10.227; 14.907; 9.964 90; 90.77; 90 | 1518.9 | Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P. Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite. Acta Crystallographica B (39,1983-), 1987, 43, 440-448 |
1008921 | CIF | Cr3 Se4 | I 1 2/m 1 | 6.299; 3.607; 11.731 90; 91.87; 90 | 266.4 | Chevreton, M; Bertaut, F Etude de seleniures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147 |
1008948 | CIF | Ba1.2 Mg1.2 O16 Ti6.8 | I 1 2/m 1 | 10.227; 2.981; 9.964 90; 90.77; 90 | 303.7 | Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite. Acta Crystallographica B (39,1983-), 1987, 43, 440-448 |
1010188 | CIF | Cl6 K2 Te | I 1 2/m 1 | 7.17; 7.17; 10.14 90; 90; 90 | 521.3 | Engel, G Die Kristallstrukturen einiger Hexachlorokomplexsalze. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 341-373 |
1011146 | CIF | Ca2 H2 Mg5 O24 Si8 | I 1 2/m 1 | 9.78; 17.79999; 5.26 90; 73.97; 90 | 880.1 | Warren, B E The crystal structure and chemical composition of the monoclinic amphiboles. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 72, 493-516 |
1011222 | CIF | Ca2 H2 Mg5 O24 Si8 | I 1 2/m 1 | 9.77; 17.79999; 5.26 90; 73.97; 90 | 879.2 | Warren, B E The structure of tremolite H2 Ca2 Mg5 (Si O3)8 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1929, 72, 42-57 |
1510367 | CIF | Au2 Br6 Rb2 | I 1 2/m 1 | 8.52; 7.243; 11.21 90; 101.24; 90 | 678.504 | Koelmel, M.; Straehle, J.; Gelinek, J. Ueber den thermischen Abbau einiger Alkalimetall- und Ammoniumhalogenoaurate(III) und die Kristallstruktur der Zersetzungsprodukte Rb2 Au2 Br6, Rb3 Au3 Cl8 und Au (N H3) Cl3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 241-460 |
1510540 | CIF | Au4 In7 La3 | I 1 2/m 1 | 4.6042; 13.895; 10.396 90; 90; 90 | 665.088 | Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Zaremba, V.I.; Kal'ichak, Ya.M. The Structure of La3 Au4 In7 and its relation to the Ba Al4 Type Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1773-1777 |
1510868 | CIF | B28 Tb1.069 | I 1 2/m 1 | 5.855; 10.3354; 8.2808 90; 89.512; 90 | 501.084 | Zhang, F.; Tanaka, T.; Mori, T. Synthesis and magnetic properties of binary boride RE B25 compounds Journal of Physics: Condensed Matter, 2001, 13, 423-430 |
1513977 | CIF | Li2.72 Mn6.64 O16 | I 1 2/m 1 | 9.834; 2.7846; 10.191 90; 92.27; 90 | 278.85 | Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G. Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase Molecular Crystals and Liquid Crystals, 1994, 244, 233-238 |
1515794 | CIF | C68 H88 Cl2 Ge2 O2 | I 1 2/m 1 | 14.3831; 10.975; 19.628 90; 95.579; 90 | 3083.7 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
1515795 | CIF | C72 H84 Cl2 Sn2 | I 1 2/m 1 | 14.908; 11.003; 19.38 90; 98.493; 90 | 3144.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
1521081 | CIF | Bi18 O42 P4 Pb5 | I 1 2/m 1 | 11.885; 11.54; 15.636 90; 90.23; 90 | 2144.5 | Giraud, S.; Steinfink, H.; Swinnea, S.; Wignacourt, J.P.; Harlow, R. Crystal structure of Pb5 Bi18 P4 O42: a fluorite-related superstructure Journal of Solid State Chemistry, 2000, 151, 181-189 |
1521773 | CIF | Cr2.75 Ni0.25 S4 | I 1 2/m 1 | 5.8693; 3.41244; 11.055 90; 91.544; 90 | 221.336 | Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry, 1999, 143, 163-173 |
1521774 | CIF | Cr2.5 Ni0.5 S4 | I 1 2/m 1 | 5.891; 3.41377; 11.101 90; 91.67; 90 | 223.152 | Powell, A.V.; Colgan, D.C.; Ritter, C. Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4) Journal of Solid State Chemistry, 1999, 143, 163-173 |
1524792 | CIF | Fe3 Ni2 Se4 | I 1 2/m 1 | 6.17; 3.56; 10.94 90; 91.73; 90 | 240.19 | Lambert-Andron, B.; Babot, D.; Berodias, G. Structures magnetiques des composes M Fe2 Se4 (M = Ti, V, Cr, Fe, Co, Ni) Journal of Physics and Chemistry of Solids, 1972, 33, 87-87 |
1525987 | CIF | Mn0.55 O1.7 Ta0.45 | I 1 2/m 1 | 3.5005; 3.573; 5.0015 90; 91.677; 90 | 62.528 | Esmaeilzadeh, S.; Lidin, S.; Nygren, M.; Grins, J. Single crystal refinement of the incommensurately modulated Mn0.55 Ta0.45 O1.7, an oxygen deficient fluorite type compound Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 148-159 |
1526700 | CIF | D26 Eu6 Mg7 | I 1 2/m 1 | 14.0939; 5.6455; 11.509 90; 90.683; 90 | 915.673 | Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K. High-pressure synthesis of novel europium magnesium hydrides Journal of Alloys Compd., 2001, 322, 59-68 |
1526759 | CIF | Ba Ce0.85 O2.925 Y0.15 | I 1 2/m 1 | 6.231; 8.76; 6.214 90; 90.58; 90 | 339.165 | Takeuchi, K.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526761 | CIF | Ba Ce0.8 O2.9 Y0.2 | I 1 2/m 1 | 6.242; 8.731; 6.23 90; 91.15; 90 | 339.46 | Takeuchi, K.; Dorris, S.E.; Loong, C.-K.; Guan, J.; Richardson, J.W.jr.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526763 | CIF | Ba Ce0.75 O2.875 Y0.25 | I 1 2/m 1 | 6.239; 8.726; 6.235 90; 91.24; 90 | 339.363 | Takeuchi, K.; Loong, C.-K.; Balachandran, U.; Guan, J.; Dorris, S.E.; Richardson, J.W.jr. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526768 | CIF | Ba Ce0.7 O2.85 Y0.3 | I 1 2/m 1 | 6.243; 8.725; 6.243 90; 91.54; 90 | 339.934 | Takeuchi, K.; Balachandran, U.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics, 2000, 138, 63-77 |
1526784 | CIF | C59 Na3.82 | I 1 2/m 1 | 11.24; 11.71; 10.25 90; 96.08; 90 | 1341.52 | Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S. Structure and physical properties of Na4 C60 under ambient and highpressure Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 0454181-0454189 |
1527085 | CIF | Cr6.665 Te7.998 | I 1 2/m 1 | 6.857; 3.954; 12.272 90; 91.17; 90 | 332.656 | Andresen, A.F. The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 3495-3509 |
1527086 | CIF | Fe3 Se4 | I 1 2/m 1 | 6.208; 3.541; 11.281 90; 91.807; 90 | 247.862 | Andresen, A.F.; van Laar, R. The magnetic structure of Fe3 Se4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 2435-2439 |
1528320 | CIF | Ba2 H20 K4 Mn Na4 O66 Si16 Ti8 | I 1 2/m 1 | 14.2446; 13.7884; 15.5 90; 116.709; 90 | 2719.53 | Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V. Origin of diffuse superstructure reflections in labuntsovite-group minerals American Mineralogist, 2004, 89, 1655-1666 |
1528499 | CIF | Ba2 Nb Nd O6 | I 1 2/m 1 | 6.07918; 6.04547; 8.53909 90; 90.134; 90 | 313.824 | Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry, 2006, 179, 1022-1028 |
1528503 | CIF | Ba2 La Nb O6 | I 1 2/m 1 | 6.14448; 6.09131; 8.604 90; 90.348; 90 | 322.024 | Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry, 2006, 179, 1022-1028 |
1528560 | CIF | La4 O7 Pt | I 1 2/m 1 | 9.7993; 4.0014; 9.4905 90; 91.759; 90 | 371.956 | Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D. Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7 Solid State Sciences, 2007, 9, 785-791 |
1528637 | CIF | La1.667 Mg O6 Ta | I 1 2/m 1 | 5.6304; 5.6226; 7.9434 90; 90.04; 90 | 251.468 | Khalyavin, D.D.; Vieira, L.G.; Senos, A.M.R.; Argyriou, D.N.; Gomes, I.T.; Mantas, P.Q.; Ribeiro, J.L. Structure and dielectric characterization of a new A-site deficient La5/3 Mg Ta O6 perovskite Journal of Solid State Chemistry, 2007, 180, 41-48 |
1529095 | CIF | H0.95 Mo O3 | I 1 2/m 1 | 14.5263; 3.7944; 7.7219 90; 93.727; 90 | 424.72 | Adams, S.; Moretzki, O.; Canadell, E. Global instability index optimisation for the localization of mobile protons Solid State Ionics, 2004, 168, 281-290 |
1530968 | CIF | Mo2 S4 V | I 1 2/m 1 | 5.949; 3.236; 11.67 90; 92.91; 90 | 224.369 | Wada, H.; Nozaki, H.; Onoda, M.; Kawada, I. Phase relations and structure of V3-x Mox S4 (0<x<2) Journal of Solid State Chemistry, 1986, 63, 369-376 |
1531183 | CIF | D26 Mg7 Sr6 | I 1 2/m 1 | 14.254; 5.6711; 11.575 90; 90.588; 90 | 935.626 | Bertheville, B.; Kohlmann, H.; Sheptyakov, D.; Yvon, K. Sr6 Mg7 H26, a new saline high-pressure hydride with (Ba6 Zn7 F26)-type structure Journal of Alloys Compd., 2003, 356, 128-132 |
1531989 | CIF | Cl1.16 Fe7.6 H9.56 Ni0.4 O16 | I 1 2/m 1 | 10.587; 3.0311; 10.515 90; 90.03; 90 | 337.429 | Post, J.E.; Heaney, P.J.; von Dreele, R.B.; Hanson, J.C. Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite American Mineralogist, 2003, 88, 782-788 |
1532432 | CIF | C0.8 B14 Y0.6 | I 1 2/m 1 | 8.278; 10.327; 5.86 90; 90.46; 90 | 500.937 | Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Sato, A.; Tanaka, T.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd., 2002, 337, 120-127 |
1532433 | CIF | C4.513 B25 Y1.01 | I 1 2/m 1 | 16.0238; 21.7577; 5.6412 90; 90.182; 90 | 1966.74 | Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Tanaka, T.; Sato, A.; Bando, Y. Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures Journal of Alloys Compd., 2002, 337, 120-127 |
1532808 | CIF | Co0.6 Cr2 Cu0.4 Se4 | I 1 2/m 1 | 6.288; 3.608; 11.728 90; 91.304; 90 | 266.005 | Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A. Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4 Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997, 2001, 18, 54-57 |
1533416 | CIF | Bi18 O42 P4 Pb5 | I 1 2/m 1 | 11.9539; 11.6004; 15.724 90; 90.25; 90 | 2180.43 | Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H. Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As) Solid State Sciences, 2003, 5, 335-341 |
1533804 | CIF | Ba5.93 O80 Ti40 | I 1 2/m 1 | 9.9942; 14.7851; 10.2655 90; 90.88; 90 | 1516.7 | Hoeche, T.; Ruessel, C.; Keding, R.; Olhe, P.; van Aken, P.A.; Schneider, R.; Stemmer, S.; Wang Xiqu; Jacobson, A.J.; Kleebe, H.J. Synthesis and characterization of mixed-valence barium titanates Philosophical Magazine, Serie 8(1956-), 2003, 83, 165-178 |
1534361 | CIF | Cr3 Se4 | I 1 2/m 1 | 6.32; 3.62; 11.77 90; 91.67; 90 | 269.164 | Chevreton, M.; Bertaut, E.F. Etude de seleniures de chrome. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147 |
1536345 | CIF | Cs2 Cu3 F10 Mg | I 1 2/m 1 | 7.149; 7.368; 9.404 90; 96.29; 90 | 492.363 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M= Mg, Mn, Co, Ni), Varianten des (CsCu2F5)-Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536349 | CIF | Cs2 Cu3 F10 Ni | I 1 2/m 1 | 7.163; 7.377; 9.382 90; 97.09; 90 | 491.968 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536353 | CIF | Co Cs2 Cu3 F10 | I 1 2/m 1 | 7.178; 7.391; 9.394 90; 97.49; 90 | 494.124 | Kaiser, V.; Dahlke, P.; Babel, D. Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000 |
1536800 | CIF | H11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75 | I 1 2/m 1 | 13.033; 18.717; 12.264 90; 99.62; 90 | 2949.59 | Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P. Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate Kristallografiya, 1996, 41, 257-262 |
1537570 | CIF | Fe3 Se4 | I 1 2/m 1 | 6.2; 3.53; 11.26 90; 91.73; 90 | 246.324 | Lambert-Andron, B.; Berodias, G. Etude par diffraction neutronique de Fe3 Se4 Solid State Communications, 1969, 7, 623-629 |
1541112 | CIF | Ba Bi O3 | I 1 2/m 1 | 6.1908; 6.145; 8.6785 90; 90.164; 90 | 330.15 | Pei, S.; Jorgensen, J.D.; Dabrowski, B.; Sinha, S.K.; Vaknin, D.; Mitchell, A.W.; Hinks, D.G.; Richards, D.R.; Newsam, J.M.; Jacobson, A.J. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141 |
1541113 | CIF | Ba0.9 Bi K0.1 O3 | I 1 2/m 1 | 6.1551; 6.1088; 8.6256 90; 90.077; 90 | 324.325 | Pei, S.; Jorgensen, J.D.; Hinks, D.G.; Dabrowski, B.; Jacobson, A.J.; Newsam, J.M.; Richards, D.R.; Mitchell, A.W.; Vaknin, D.; Sinha, S.K. Structural phase diagram of the Ba1-x Kx Bi O3 system Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141 |
1541776 | CIF | C3 H7 Cl N6 | I 1 2/m 1 | 8.5287; 17.0442; 9.1844 90; 92.165; 90 | 1334.14 | Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J. Die Kristallstruktur von wasserfreiem Melaminiumchlorid Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 368-370 |
1544360 | CIF | In O6 Sr2 Ta | I 1 2/m 1 | 5.7764; 5.776; 8.1566 90; 90.09; 90 | 272.14 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
1544721 | CIF | Ba0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16 | I 1 2/m 1 | 9.907; 2.865; 9.676 90; 90.52; 90 | 274.6 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
1550680 | CIF | C138 H202 F19 N6 O18 S6 | I 1 2/m 1 | 18.9188; 10.3807; 35.7997 90; 97.509; 90 | 6970.4 | Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019 |
1551545 | CIF | C246 H126 Co6 N8 P6 Te8 | I 1 2/m 1 | 26.5695; 17.056; 21.1219 90; 104.26; 90 | 9276.9 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
1557509 | CIF | C53 H31 Cu2 N O12 | I 1 2/m 1 | 25.8186; 22.6806; 27.2079 90; 109.69; 90 | 15000.9 | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671 |
1559160 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.8483; 7.1717; 15.88 90; 92.699; 90 | 1689.1 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
1559162 | CIF | C12.8 H10 Fe N10 O0.4 Pt | I 1 2/m 1 | 14.9798; 7.3662; 16.181 90; 91.922; 90 | 1784.5 | Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020 |
1560371 | CIF | C9 H15 B F4 N6 | I 1 2/m 1 | 10.535; 6.4885; 18.7172 90; 92.323; 90 | 1278.39 | Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac Chemical Science, 2021, 12, 3170-3178 |
1561443 | CIF | C60 H90 Al6 Cu7.33 | I 1 2/m 1 | 12.9999; 17.2545; 16.5285 90; 97.741; 90 | 3673.7 | Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms. Chemical science, 2021, 12, 6588-6599 |
1562683 | CIF HKL | C30 H38 Cu2 N4 O19 | I 1 2/m 1 | 8.8717; 18.8801; 9.9362 90; 100.916; 90 | 1634.19 | Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride Transition Metal Chemistry, 2021, 46, 283-290 |
1565706 | CIF | C18 H18 Cl2 Cu N12 O9 | I 1 2/m 1 | 15.599; 10.704; 21.315 90; 105; 90 | 3438 | Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai Anion control in the complexation of cucurbit[6]uril with Cu(II) salts Inorganica Chimica Acta, 2020, 499, 119183 |
1567307 | CIF | C46 H64 N2 O2 | I 1 2/m 1 | 13.809; 8.7376; 17.19 90; 99.585; 90 | 2045.1 | Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W. Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design Chemical Science, 2022, 13, 9595-9606 |
1568589 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5628; 7.033; 8.7326 90; 96.723; 90 | 400.29 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1568590 | CIF | Cl2 H12 Ni O6 | I 1 2/m 1 | 6.5579; 7.0244; 8.7291 90; 96.702; 90 | 399.36 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1571152 | CIF | C26 H42 Cl2 N2 Si2 | I 1 2/m 1 | 10.53; 10.929; 12.931 90; 96.525; 90 | 1478.5 | Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K Synthesis and structural properties of <i>para</i>-diselenopyrazines. Chemical communications (Cambridge, England), 2024, 60, 3786-3789 |
1572374 | CIF | C2 H9 N3 O3 S | I 1 2/m 1 | 10.0029; 7.3514; 10.4776 90; 102.8; 90 | 751.33 | Li, Yang; Chen, Xinglong; Ok, Kang Min Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties. Chemical science, 2024, 15, 15145-15151 |
1572636 | CIF | C240 H172 Cl8 N12 | I 1 2/m 1 | 20.1388; 53.4956; 31.8306 90; 106.792; 90 | 32830.1 | Stawski, Wojciech; Anderson, Harry Laurence Polymorphism and flexibility of six-porphyrin nanorings in the solid state Chemical Science, 2024 |
2004763 | CIF Paper | C12 H24 Hg I2 O6 | I 1 2/m 1 | 9.236; 11.236; 9.283 90; 90.44; 90 | 963.3 | El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F. Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~ Acta Crystallographica Section C, 1996, 52, 818-820 |
2011341 | CIF HKL Paper | C16 H24 Cl2 N2 O4 | I 1 2/m 1 | 11.255; 6.865; 11.953 90; 104.15; 90 | 895.5 | Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko 2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate Acta Crystallographica Section C, 2000, 56, 1144-1145 |
2014172 | CIF Paper | C16 H40 Cl6 N2 Pd2 | I 1 2/m 1 | 8.7249; 12.238; 13.062 90; 91.973; 90 | 1393.9 | Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)] Acta Crystallographica Section C, 2004, 60, m426-m430 |
2020150 | CIF | Ga10 Ge O20 Pb3 | I 1 2/m 1 | 14.751; 11.695; 5.106 90; 90.23; 90 | 880.844 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
2020151 | CIF | Ba3 Fe10 O20 Sn | I 1 2/m 1 | 15.443; 11.9068; 5.2473 90; 90.945; 90 | 964.725 | Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W. Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20 Acta Crystallographica C (39,1983-), 1983, 39, 921-925 |
2020376 | CIF | Pb4 S13 Sb6 | I 1 2/m 1 | 23.698; 3.98; 24.466 90; 93.9; 90 | 2302.24 | Skowron, A.; Brown, I.D. Refinement of the structure of robinsonite, Pb4 Sb6 S13 Acta Crystallographica C (39,1983-), 1990, 46, 527-531 |
2100570 | CIF Paper | Ba Bi O3 | I 1 2/m 1 | 6.18505; 6.13219; 8.65846 90; 90.2288; 90 | 328.395 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
2100573 | CIF Paper | Ba2 Bi O6 Sb | I 1 2/m 1 | 6.06777; 6.01862; 8.50818 90; 90.2161; 90 | 310.713 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
2102519 | CIF Paper | C14 H24 Fe N2 O8 | I 1 2/m 1 | 11.78; 9.734; 8.401 90; 104.05; 90 | 934.5 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2103798 | CIF Paper | C8 H12 S8 Tc2 | I 1 2/m 1 | 11.361; 8.303; 8.987 90; 95.25; 90 | 844.2 | Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B, 2003, 59, 43-50 |
2104994 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105020 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.37; 12.57; 8.114 90; 101.48; 90 | 1236.4 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105021 | CIF HKL Paper | C10 H36 N2 Ni O19 | I 1 2/m 1 | 12.379; 12.558; 8.12 90; 101.68; 90 | 1236.2 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2105964 | CIF | C2 H2 Ca O5 | I 1 2/m 1 | 9.978; 7.295; 6.292 90; 107.07; 90 | 437.82 | Deganello, S The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 826-829 |
2106074 | CIF | Ag3 H2 O10 P3 | I 1 2/m 1 | 9.326; 10.925; 9.276 90; 106.5; 90 | 906.18 | Baur, W.H.; Tillmanns, E. How to avoid unneccessarily low symmetry in crystal structure determinations Acta Crystallographica B (39,1983-), 1986, 42, 95-111 |
2106452 | CIF | Ba2 Bi2 O6 | I 1 2/m 1 | 6.1736; 6.1237; 8.6507 90; 90.29; 90 | 327.038 | Thornton, G.; Jacobson, A.J. A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 351-354 |
2106560 | CIF | Ba0.159 Bi0.841 O2.5 Ti | I 1 2/m 1 | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T. Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275) Acta Crystallographica B (39,1983-), 2005, 61, 145-153 |
2107011 | CIF | S13 Sb6 Sn4 | I 1 2/m 1 | 24.31; 3.915; 23.49 90; 94.05; 90 | 2230.05 | Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M. Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13 Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2940-2945 |
2107129 | CIF | C H4 Ca7 O23 Si6 | I 1 2/m 1 | 10.118; 15.187; 6.626 90; 100.4; 90 | 1001.44 | Pluth, J.J.; Smith, J.V. The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 73-80 |
2107130 | CIF | Al0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3 | I 1 2/m 1 | 10.026; 2.8782; 9.729 90; 91.03; 90 | 280.703 | Post, J.E.; Buseck, P.R.; von Dreele, R.B. Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1056-1065 |
2107227 | CIF | Ba1.14 Mg1.14 O16 Ti6.86 | I 1 2/m 1 | 10.1816; 2.9733; 10.0268 90; 90.489; 90 | 303.53 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
2107229 | CIF | Ba1.33 Mg1.33 O16 Ti6.67 | I 1 2/m 1 | 10.2609; 2.98052; 9.9212 90; 91.072; 90 | 303.365 | Cheary, R.W.; Squadrito, R. A structural analysis of barium magnesium hollandites Acta Crystallographica B (39,1983-), 1989, 45, 205-212 |
2206238 | CIF Paper | C21 H14 N6 | I 1 2/m 1 | 11.46; 13.094; 13.563 90; 114.22; 90 | 1856 | Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide Acta Crystallographica Section E, 2005, 61, o2258-o2260 |
2206809 | CIF HKL Paper | Au2 I6 Rb2 | I 1 2/m 1 | 8.725; 7.932; 11.969 90; 99.53; 90 | 816.9 | Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~] Acta Crystallographica Section E, 2005, 61, i201-i203 |
2212533 | CIF HKL Paper | C10 H10 Cl4 N2 Pd | I 1 2/m 1 | 6.718; 11.754; 8.015 90; 90.649; 90 | 632.9 | Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel 4,4'-Bipyridinium tetrachloridopalladate(II) Acta Crystallographica Section E, 2007, 63, m870-m871 |
2240371 | CIF Paper | C8 H54 Mn2 N2 O43 V10 | I 1 2/m 1 | 13.2434; 9.6402; 17.7628 90; 98.626; 90 | 2242.1 | Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L. Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O Acta Crystallographica Section E, 2015, 71, 146-150 |
2310453 | CIF | Cl2 H4 Ni O2 | I 1 2/m 1 | 6.9093; 6.8858; 8.8298 90; 92.246; 90 | 419.764 | Morosin, B. An X-ray diffraction study on nickel(II) chloride dihydrate Acta Crystallographica (1,1948-23,1967), 1967, 23, 630-634 |
2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310784 | CIF Paper | Bi0.545 Fe1.027 O2.783 Pb0.428 | I 1 2/m 1 | 3.90908; 3.90585; 4.16564 90; 91.318; 90 | 63.585 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!