Crystallography Open Database
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Searching space group like 'I 4/m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1530976 | CIF | Ga17.28 O56 Rb1.26 Ti14.72 | I 4/m | 18.142; 18.142; 2.9967 90; 90; 90 | 986.31 | Watanabe, M.; Ohachi, T.; Fujiki, Y.; Yoshikado, S. Structural Aspects of the New One-Dimensional Ionic Conductors: Ax Ga8 Ga8+x Ti16-x O56 (A=K,Rb and Cs, x<=2) Solid State Ionics, 1988, 28, 257-261 |
| 1530988 | CIF | K1.59 Mg0.77 O16 Ti7.23 | I 4/m | 10.138; 10.138; 2.9685 90; 90; 90 | 305.1 | Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics, 1986, 85, 475-484 |
| 1530989 | CIF | K1.58 Mg0.77 O16 Ti7.23 | I 4/m | 10.167; 10.167; 2.976 90; 90; 90 | 307.623 | Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics, 1986, 85, 475-484 |
| 1530990 | CIF | K1.6 Mg0.77 O16 Ti7.23 | I 4/m | 10.197; 10.197; 2.992 90; 90; 90 | 311.105 | Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics, 1986, 85, 475-484 |
| 1531006 | CIF | Al K O8 Si3 | I 4/m | 9.3244; 9.3244; 2.7227 90; 90; 90 | 236.724 | Yamada, H.; Matsui, Y.; Ito, E. Crystal-chemical characterization of K Al Si3 O8 with the hollandite structure Mineralogical Journal (Japan), 1984, 12, 29-34 |
| 1531103 | CIF | Ba2 Fe O6 W | I 4/m | 5.7448; 5.7448; 8.111 90; 90; 90 | 267.685 | Azad, A.K.; Eriksen, J.; Mellergard, A.; Eriksson, S.G.; Ivanov, S.A.; Rundlof, H. A study on the nuclear and magnetic structure of the double perovskites A2 Fe W O6 (A = Sr, Ba) by neutron powder diffraction and reverse Monte Carlo modelling Materials Research Bulletin, 2002, 37, 1797-1813 |
| 1531491 | CIF | Cs D S | I 4/m | 8.202; 8.202; 9.0245 90; 90; 90 | 607.103 | Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L. Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations Journal of Chemical Physics, 2002, 117, 4961-4972 |
| 1532230 | CIF | K5 Te3 | I 4/m | 13.8611; 13.8611; 6.4468 90; 90; 90 | 1238.62 | Seifert-Lorenz, K.; Hafner, J. Crystalline intermetallic compounds in the K-Te system: the Zintl-Klemm principle revisited Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 66, 094105-1-094105-15 |
| 1532314 | CIF | C30 H64 Fe5 N26 Na16 O36 | I 4/m | 16.308; 16.308; 15.418 90; 90; 90 | 4100.43 | Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J. X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion Journal of Chemical Crystallography, 2001, 31, 471-477 |
| 1532525 | CIF | K1.15 Nb0.67 O16 Ti7.33 | I 4/m | 10.226; 10.226; 2.974 90; 90; 90 | 310.994 | Kumada, N.; Takei, T.; Hirose, K.; Kinomura, N. Synthesis and crystal structure of hollandite-type K~x~Nb~y~Ti~8-y~O~16~ ( x ≤ 1.15, 0 ≤ y ≤ 1) Journal of the Ceramic Society of Japan, 2003, 111, 352-356 |
| 1532626 | CIF | Bi14 O24 W | I 4/m | 8.7296; 8.7296; 17.3613 90; 90; 90 | 1323.03 | Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M= Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry, 2003, 175, 197-206 |
| 1532627 | CIF | Bi14 Mo O24 | I 4/m | 8.7232; 8.7232; 17.3446 90; 90; 90 | 1319.82 | Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry, 2003, 175, 197-206 |
| 1532628 | CIF | Bi14 Cr O24 | I 4/m | 8.6402; 8.6402; 17.1599 90; 90; 90 | 1281.04 | Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry, 2003, 175, 197-206 |
| 1532660 | CIF | C6 H16 F Ge10 N O20 | I 4/m | 9.271; 9.271; 14.349 90; 90; 90 | 1233.32 | Wang Yingxia; Song Jiaqing; Gies, H. The substitution of germanium for silicon in AST-type zeolite Solid State Sciences, 2003, 5, 1421-1433 |
| 1533170 | CIF | Cs0.79 Li0.21 O8 Ru4 | I 4/m | 10.085; 10.085; 3.1218 90; 90; 90 | 317.51 | Foo, M.L.; Siegrist, T.; Lee Weili; Lawes, G.; Ramirez, A.P.; Cava, R.J.; Ong, N.P. Electronic characterization of alkali ruthenium hollandites: K Ru4 O8, Rb Ru4 O8 and Cs0.8 Li0.2 Ru4 O8 Materials Research Bulletin, 2004, 39, 1663-1670 |
| 1533206 | CIF | Cu O6 Sr2 W | I 4/m | 5.4169; 5.4169; 8.3976 90; 90; 90 | 246.409 | Gateshki, M.; Igartua, J.M. Second-order structural phase transition in Sr2 Cu W O6 double-perovskite oxide Journal of Physics: Condensed Matter, 2003, 15, 6749-6757 |
| 1533884 | CIF | D0.068 H0.132 Mn O2.1 | I 4/m | 9.777; 9.777; 2.8548 90; 90; 90 | 272.89 | Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y. Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting Journal of Solid State Chemistry, 2004, 177, 1258-1267 |
| 1533885 | CIF | H0.308 Mn O2.154 | I 4/m | 9.81359; 9.81359; 2.85077 90; 90; 90 | 274.548 | Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y. Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting Journal of Solid State Chemistry, 2004, 177, 1258-1267 |
| 1534355 | CIF | F14 N2 Ni | I 4/m | 6.828; 6.828; 9.27 90; 90; 90 | 432.182 | Charpin, P.; Lance, M.; Tue, B.H; Bougon, R. Crystallographic data on bis-tetrafluoroammonium hexafluoronickelate(IV), (N F4)2 Ni F6 Journal of Fluorine Chemistry, 1981, 17, 479-484 |
| 1534489 | CIF | Fe0.8 K1.46 O16 Ti7.2 | I 4/m | 10.147; 10.147; 2.962 90; 90; 90 | 304.972 | Genkina, E.A.; Dem'yanets, L.N.; Maksimov, B.A.; Lazarevskaya, O.A. Synthesis and structure of a new compound from hollandite series Kristallografiya, 1993, 38, 66-70 |
| 1534577 | CIF | Ge Nb19.144 O50 | I 4/m | 15.736; 15.736; 3.827 90; 90; 90 | 947.648 | Anderson, J.S.; Bevan, D.J.M.; Hutchinson, J.L.; Cheetham, A.K.; von Dreele, R.B.; Straehle, J. The structure of germanium niobium oxide, an inherently non-stoichiometric block structure Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1975, 346, 139-156 |
| 1534934 | CIF | Cl Cu20 H92 K12 Li13 O242 P8 W48 | I 4/m | 26.753; 26.753; 21.241 90; 90; 90 | 15202.7 | Mal, S.S.; Kortz, U. The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion Angew. Chem. Int. ed., 2005, 44, 3777-3780 |
| 1535072 | CIF | Al5.52 Ca3.52 Na0.48 O24 Si6.48 | I 4/m | 12.208; 12.208; 7.585 90; 90; 90 | 1130.43 | Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S. Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition Kristallografiya, 1993, 38, 52-57 |
| 1535075 | CIF | C0.05 Al3.29 Ca0.44 Cl Na3.56 O24.15 Si8.71 | I 4/m | 12.06; 12.06; 7.576 90; 90; 90 | 1101.88 | Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S. Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition . Kristallografiya, 1993, 38, 52-57 |
| 1535092 | CIF | Cs8 O19 Ta6 | I 4/m | 9.8585; 9.8585; 14.0334 90; 90; 90 | 1363.91 | Hartl, H.; Pickhard, F.; Emmerling, F.; Roehr, C. Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2630-2638 |
| 1535376 | CIF | H14 N6 Na2 Ni | I 4/m | 8.932; 8.932; 10.984 90; 90; 90 | 876.31 | Tenten, A.; Jacobs, H. Partielle Substitution von Nickel durch Natrium in Nickel(II)-amid: Isolierte Na4Ni2(NH2)8*4NH3-Einheiten in Natriumtetraamidoniccolat(II)-diammoniakat Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 604, 113-126 |
| 1535671 | CIF | K4 N2 O5 | I 4/m | 5.204; 5.204; 15.926 90; 90; 90 | 431.302 | Mueller, W.; Jansen, M. A4N2O5 (A = Na, K), neue Oxidnitrite der Alkalimetalle und eine Bemerkung zum quasi-binaeren System K3NO3/K3OBr Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 610, 28-32 |
| 1535693 | CIF | H200 Li28 Np49.1 O374 | I 4/m | 18.1554; 18.1554; 26.6926 90; 90; 90 | 8798.38 | Burns, P.C.; Soderholm, L.; Sigmon, G.; Fryer, B.J.; Gagnon, J.E.; Antonio, M.R.; Kubatko, K.A. Actinyl Peroxide Nanospheres Angew. Chem. Int. ed., 2005, 44, 2135-2139 |
| 1535962 | CIF | Cl2 Eu2 O3 Si | I 4/m | 11.187; 11.187; 9.526 90; 90; 90 | 1192.17 | Jacobsen, H.; Meyer, G.; Blasse, G.; Schipper, W. Synthesis, structures and luminescence of two new europium(II) silicate-chlorides, Eu2SiO3Cl2 and Eu5SiO4Cl6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1994, 620, 451-456 |
| 1535992 | CIF | Mg0.1025 O2 Ti0.8975 Tl0.205 | I 4/m | 10.181; 10.181; 2.975 90; 90; 90 | 308.367 | Verbaere, A.; Dion, M.; Tournoux, M. Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2 Revue de Chimie Minerale, 1975, 12, 156-174 |
| 1536211 | CIF | As4 Nb5 Pd4 | I 4/m | 10.4457; 10.4457; 3.7868 90; 90; 90 | 413.188 | Wang, M.; MacLean, E.J.; Mar, A. Structure determination of niobium palladium arsenide, Nb5 Pd4 As4, from a 5 x 5 x 5 micro-m(exp3) crystal with synchrotron radiation Journal of Solid State Chemistry, 2003, 172, 232-236 |
| 1536263 | CIF | K1.8 Li2.45 O16 Sb5.55 | I 4/m | 9.93; 9.93; 2.936 90; 90; 90 | 289.504 | Watelet, H.; Baud, G.; Besse, J.P.; Chevalier, R. Determination structurale et proprietes de conduction d'un nouveau compose de type hollandite: K1.8 (Li2.45 Sb5.55) O16 ; mise en evidence d'une substructure d'ordre 3 Materials Research Bulletin, 1982, 17, 863-871 |
| 1536302 | CIF | Al Ba0.62 Eu0.38 F5 | I 4/m | 14.386; 14.386; 7.2778 90; 90; 90 | 1506.19 | Weil, M.; Kubel, F. Single crystal growth and classification of Eu Al F5 and solid solutions M(II)1-x Eux Al F5 (M = Ca, Sr, Ba) within the structural family of tetragonal M(II) M(III) F5 compounds Journal of Solid State Chemistry, 2002, 164, 150-156 |
| 1536323 | CIF | C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 | I 4/m | 12.0413; 12.0413; 7.5809 90; 90; 90 | 1099.18 | Kabalov, Yu.K.; Sokolova, E.V. Refinement of crystal structures of scapolites by the Rietveld method: marialites (6.4,8.1 and 15%Me) Kristallografiya, 1996, 41, 461-470 |
| 1536355 | CIF | Al Ba0.25 F5 Sr0.75 | I 4/m | 14.2327; 14.2327; 7.2309 90; 90; 90 | 1464.76 | Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M= Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1053-1058 |
| 1536359 | CIF | Al Ba0.31 Ca0.13 F5 Sr0.56 | I 4/m | 14.2315; 14.2315; 7.2033 90; 90; 90 | 1458.93 | Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1053-1058 |
| 1536363 | CIF | Al Ba0.76 F5 Sr0.24 | I 4/m | 14.486; 14.486; 7.3355 90; 90; 90 | 1539.31 | Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1053-1058 |
| 1537085 | CIF | Cs3 Se22 | I 4/m | 8.749; 8.749; 19.554 90; 90; 90 | 1496.76 | Kromm, A.; Sheldrick, W.S. Cs3 Se22: a selenium-rich cesium polyselenide containing Se8 crowns and (Se6(3-)) anions with radical character Zeitschrift fuer Anorganische und Allgemeine Chemie, 2006, 632, 191-194 |
| 1537280 | CIF | H8 Li3 Mo9 O41 S8 | I 4/m | 14.7749; 14.7749; 11.189 90; 90; 90 | 2442.53 | du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J. Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties Chemistry - A European Journal, 2004, 10, 3026-3032 |
| 1537323 | CIF | Cu4 Nb5 Si4 | I 4/m | 10.1908; 10.1908; 3.6004 90; 90; 90 | 373.91 | Ganglberger, E. Die Kristallstruktur von Nb5 Cu4 Si4 Monatshefte fuer Chemie (-108,1977), 1968, 99, 549-556 |
| 1537350 | CIF | S4 V5 | I 4/m | 8.988; 8.988; 3.224 90; 90; 90 | 260.448 | Groenvold, F.; Haraldsen, H.; Pedersen, B.; Tufte, T. X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8 Revue de Chimie Minerale, 1969, 6, 215-240 |
| 1537392 | CIF | Bi F5 | I 4/m | 6.581; 6.581; 4.229 90; 90; 90 | 183.156 | Hebecker, C. Zur Kristallstruktur von Wismutpentafluorid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 384, 111-114 |
| 1537573 | CIF | Ni12 P5 | I 4/m | 8.646; 8.646; 5.07 90; 90; 90 | 378.999 | Larsson, E. An x-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Arkiv foer Kemi, 1965, 23, 335-365 |
| 1537598 | CIF | H2 O16 S3 U3 | I 4/m | 10.741; 10.741; 10.377 90; 90; 90 | 1197.19 | Lundgren, G. The crystal structure of U6 O4 (O H)4 (S O4)6 Arkiv foer Kemi, 1952, 5, 349-363 |
| 1538078 | CIF | Nb5 Sb4 | I 4/m | 10.314; 10.314; 3.5566 90; 90; 90 | 378.346 | Furuseth, S.; Kjekshus, A. On the arsenides and antimonides of niobium Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1180-1195 |
| 1538310 | CIF | Ce3 H2 O16 S3 | I 4/m | 10.661; 10.661; 10.288 90; 90; 90 | 1169.3 | Lundgren, G. The crystal structure of Ce6 O4 (O H)4 (S O4)6 Arkiv foer Kemi, 1957, 10, 183-197 |
| 1539323 | CIF | N5 Nb4 | I 4/m | 6.873; 6.873; 4.298 90; 90; 90 | 203.029 | Terao, N. New phase of niobium nitride Journal of the Less-Common Metals, 1971, 23, 159-169 |
| 1541131 | CIF | Ba Cu8 P4 | I 4/m | 10.192; 10.192; 3.878 90; 90; 90 | 402.834 | Pilchowski, I.; Mewis, A.; Wenzel, M.; Gruehn, R. Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 109-116 |
| 1541132 | CIF | As4 Ba Cu8 | I 4/m | 10.455; 10.455; 3.969 90; 90; 90 | 433.84 | Pilchowski, I.; Gruehn, R.; Mewis, A.; Wenzel, M. Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 588, 109-116 |
| 1541653 | CIF | C0.88 Al5.43 Ca3.4 Na0.64 O26.76 Si6.59 | I 4/m | 12.179; 12.179; 7.571 90; 90; 90 | 1122.99 | Aitken, B.G.; Evans, H.T.jr.; Konnert, J.A. The crystal structure of a synthetic meionite Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1984, 149, 309-324 |
| 1542076 | CIF | Fe0.25 H0.5 Na2 O11 Si4 Ti0.75 | I 4/m | 10.72; 10.72; 7.99 90; 90; 90 | 918.198 | Pyatenko, Yu.A.; Pudovkina, Z.V. Crystal structure of narsarsukite Kristallografiya, 1960, 5, 563-573 |
| 1542963 | CIF | C124 H72 Cl16 N16 Tb2 | I 4/m | 14.313; 14.313; 25.736 90; 90; 90 | 5272 | Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets Chem. Sci., 2016, 7, 4329 |
| 1544361 | CIF | In O6 Sr2 Ta | I 4/m | 5.7783; 5.7783; 8.1929 90; 90; 90 | 273.55 | Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C Physics and Chemistry of Minerals, 2013, 40, 603-610 |
| 1544719 | CIF | Mn8 O16 Rb1.5 | I 4/m | 9.915; 9.915; 2.866 90; 90; 90 | 281.7 | Yamamoto, N.; Oka, Y.; Tamada, O. Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite Mineralogical Journal, 1990, 15, 41-49 |
| 1544720 | CIF | Ba0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16 | I 4/m | 9.832; 9.832; 2.8648 90; 90; 90 | 276.94 | Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal, 1990, 15, 50-63 |
| 1545628 | CIF | Ba F5 Ti | I 4/m | 15.091; 15.091; 7.67 90; 90; 90 | 1746.8 | Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry, 1984, 52, 12-21 |
| 1546127 | CIF | F19 Fe3 Sr5 | I 4/m | 14.294; 14.294; 7.307 90; 90; 90 | 1493 | Graulich, J.; Babel, D. Zweikernige aniongruppen [Fe2F10]4- in der kristallstruktur von Sr5Fe3F19 Zeitschrift fur anorganische und allgemeine Chemie, 1991, 597, 51-59 |
| 1547343 | CIF | C48 H112 As8 Ga Na5 O68 Pd12 | I 4/m | 15.8084; 15.8084; 24.853 90; 90; 90 | 6210.9 | Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017 |
| 1547344 | CIF | C48 H102 As8 La Na5 O63 Pd12 | I 4/m | 15.8839; 15.8839; 25.1431 90; 90; 90 | 6343.6 | Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017 |
| 1547346 | CIF | C48 H100 As8 In Na5 O62 Pd12 | I 4/m | 15.7992; 15.7992; 24.954 90; 90; 90 | 6228.9 | Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci., 2017 |
| 1547689 | CIF | C25 H16 F8 O12 P4 Zr3 | I 4/m | 33.081; 33.081; 15.832 90; 90; 90 | 17326 | Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369 |
| 1547894 | CIF | C208 H168 Cu24 O144 S8 | I 4/m | 28.535; 28.535; 39.508 90; 90; 90 | 32169 | Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe Evolution of form in metalorganic frameworks Nature Communications, 2017, 8, 14070 |
| 1549392 | CIF | C60 H148 Cl42 O76 U38 | I 4/m | 19.6962; 19.6962; 29.9535 90; 90; 90 | 11620.2 | Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction. Chemical science, 2018, 9, 5021-5032 |
| 1551164 | CIF | C228 H204 Cu24 N12 O144 | I 4/m | 28.6201; 28.6201; 39.803 90; 90; 90 | 32603 | Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages Chemical Science, 2019 |
| 1552056 | CIF | C80 H59 F11 N2 O37 Tb6 | I 4/m | 15.2613; 15.2613; 19.903 90; 90; 90 | 4635.6 | Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks Nature Chemistry, 2014, 6, 673-680 |
| 1557166 | CIF | Ba2 O14 Si4 V2 | I 4/m | 7.0429; 7.0429; 11.444 90; 90; 90 | 567.65 | Hans-Peter Bojar; Franz Walter; Judith Baumgartner Bavsiite, Ba2V2O2[Si4O12], mineral data and crystal structure Mineralogical Magazine, 2019, 83, 821-827 |
| 1557307 | CIF | Al7 B4 Li O17 | I 4/m | 10.5454; 10.5454; 5.6246 90; 90; 90 | 625.49 | Ahman, Johan; Svensson, Goran; Grins, Jekabs Lithium Aluminium Borate, LiAl7B4O17 Acta Chemica Scandinavica, 1997, 51, 1045-1050 |
| 1559550 | CIF | C44 H28 Cl2 N4 Ti | I 4/m | 13.5956; 13.5956; 9.8681 90; 90; 90 | 1824.02 | Christensen, A. Norlund; Grand, A.; Lehmann, M. S.; Cox, D. E. A Synchrotron X-Ray Powder Diffraction Study of the Structure of trans-Dichlorotitanium(IV) Tetraphenylporphyrin Acta Chemica Scandinavica, 1990, 44, 103-105 |
| 1562187 | CIF | K1.55 Ni0.78 O16 Ti7.22 | I 4/m | 10.192; 10.192; 2.9764 90; 90; 90 | 309.2 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562188 | CIF | K1.51 O16 Sc1.51 Ti6.49 | I 4/m | 10.244; 10.244; 3.0077 90; 90; 90 | 315.63 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562189 | CIF | Cr1.54 K1.54 O16 Ti6.46 | I 4/m | 10.141; 10.141; 2.9637 90; 90; 90 | 304.8 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562190 | CIF | K1.6 O16 Ti6.4 V1.6 | I 4/m | 10.1539; 10.1539; 2.9684 90; 90; 90 | 306.05 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562191 | CIF | K1.36 O16 Ti8 | I 4/m | 10.2386; 10.2386; 2.9794 90; 90; 90 | 312.33 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562192 | CIF | Fe1.52 K1.53 O16 Ti6.48 | I 4/m | 10.153214; 10.153214; 2.96732 90; 90; 90 | 305.894 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562193 | CIF | K1.4 Mn1.36 O16 Ti6.64 | I 4/m | 10.185483; 10.185483; 2.953156 90; 90; 90 | 306.372 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562194 | CIF | Co0.73 K1.47 O16 Ti7.27 | I 4/m | 10.15689; 10.15689; 2.96478 90; 90; 90 | 305.854 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562195 | CIF | K1.63 Ni0.76 O16 Ti7.24 | I 4/m | 10.146517; 10.146517; 2.963254 90; 90; 90 | 305.072 | Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry, 2014, 220, 45-53 |
| 1562201 | CIF | F O10 Rb2 Sc Si4 | I 4/m | 11.2619; 11.2619; 8.3053 90; 90; 90 | 1053.36 | Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M. One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization Journal of Solid State Chemistry, 2014, 220, 79-90 |
| 1563079 | CIF | Ba2 Ca O6 W | I 4/m | 5.93741; 5.93741; 8.4015 90; 90; 90 | 296.18 | Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W. Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides Journal of Solid State Chemistry, 2012, 185, 107-116 |
| 1563082 | CIF | Mo O6 Sr2 Zn | I 4/m | 5.58682; 5.58682; 7.9864 90; 90; 90 | 249.276 | Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W. Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides Journal of Solid State Chemistry, 2012, 185, 107-116 |
| 1567889 | CIF | C16 H28 I6 N4 Pb | I 4/m | 10.9954; 10.9954; 25.0526 90; 90; 90 | 3028.8 | Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells. Materials horizons, 2023, 10, 536-546 |
| 1568020 | CIF | C30 H15 F2 N3 O6.62 Y1.5 | I 4/m | 17.7478; 17.7478; 25.9278 90; 90; 90 | 8166.85 | Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs Chemical Science, 2022 |
| 1568136 | CIF | Cu4 Na4.39 O Se4 | I 4/m | 11.232; 11.232; 4.0301 90; 90; 90 | 508.43 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568139 | CIF | Cu4 Na4.55 O S4 | I 4/m | 10.9081; 10.9081; 3.886 90; 90; 90 | 462.38 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568143 | CIF | Cu3.52 K4.33 O0.88 Se4 | I 4/m | 12.335; 12.335; 4.433 90; 90; 90 | 674.5 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568148 | CIF | Ba9 Cu13.46 Na4 O8 S12 | I 4/m | 20.247; 20.247; 3.9958 90; 90; 90 | 1638 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1568160 | CIF | Cu6.09 Rb Se4 | I 4/m | 10.561; 10.561; 3.974 90; 90; 90 | 443.24 | Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature, 2022, 612, 72-77 |
| 1569672 | CIF | C224 H96 N8 O144 Ru24 | I 4/m | 30.937; 30.937; 31.2314 90; 90; 90 | 29891.5 | Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra. Chemical science, 2023, 14, 9543-9552 |
| 1572218 | CIF | C42 H6 F20 N4 O2 S2 | I 4/m | 12.3899; 12.3899; 27.31 90; 90; 90 | 4192.35 | Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization. Chemical science, 2024, 15, 13841-13852 |
| 1572507 | CIF | Ba5 Co4 Gd8 O21 | I 4/m | 13.8982; 13.8982; 5.7651 90; 90; 90 | 1113.59 | Urushihara, D.; Maruyama, M.; Fukuda, K.; Asaka, T. Synthesis and structural characterization of gadolinium barium cobalt oxide Gd8Ba5Co4O21 with CoO5 square pyramids Journal of the Ceramic Society of Japan, 2024, 132, 252-256 |
| 1572581 | CIF | Ag30 O184 P8 W48 | I 4/m | 32.2143; 32.2143; 27.1465 90; 90; 90 | 28171.6 | Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate. Nanoscale, 2024, 16, 18383-18388 |
| 1572714 | CIF | C16 H26 Ag2 N4 O13 | I 4/m | 11.321; 11.321; 9.154 90; 90; 90 | 1173.2 | Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science, 2024, 15, 18067-18075 |
| 1572715 | CIF | C16 H24 Ag Cs N4 O12 | I 4/m | 11.3504; 11.3504; 8.7443 90; 90; 90 | 1126.54 | Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science, 2024, 15, 18067-18075 |
| 1572718 | CIF | C32 H48 Ag2 N8 O24 Rb2 | I 4/m | 11.3963; 11.3963; 8.5069 90; 90; 90 | 1104.84 | Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science, 2024, 15, 18067-18075 |
| 1572719 | CIF | C2 H3 Ag0.12 K0.12 N0.5 O1.5 | I 4/m | 11.554; 11.554; 8.42 90; 90; 90 | 1124 | Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science, 2024, 15, 18067-18075 |
| 1574420 | CIF | C325 H377 Ag4 Cl32 Cu28 P8 S16 | I 4/m | 26.5679; 26.5679; 23.7512 90; 90; 90 | 16764.9 | Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance. Materials horizons, 2025, 12, 5252-5258 |
| 1575257 | CIF | Na24 O180 U24 | I 4/m | 19.719; 19.719; 22.155 90; 90; 90 | 8614.7 | Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z. Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator. Dalton transactions (Cambridge, England : 2003), 2025, 54, 13129-13142 |
| 1575396 | CIF | C108 H64 O44 Zr6 | I 4/m | 24.3152; 24.3152; 18.9359 90; 90; 90 | 11195.5 | Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars On metal-organic framework isomers, and the SF<sub>6</sub> sorption and fluorescence of an In and a Zr MOF with a tritopic linker. Chemical communications (Cambridge, England), 2025, 61, 14129-14132 |
| 1575537 | CIF | C176 H216 F84 N32 P16 Pd8 | I 4/m | 30.9423; 30.9423; 19.3961 90; 90; 90 | 18570.3 | Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid. Chemical science, 2025, 16, 17127-17138 |
| 2002535 | CIF | Ba5 Mn4 Nd8 O21 | I 4/m | 14.2104; 14.2104; 5.8581 90; 90; 90 | 1183 | Mueller-Buschbaum, Hk; Kluever, E Ein neues Oxometallat mit Mangan(II): Ba5 Mn4 Nd8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 612, 21-24 |
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