Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1514075 | CIF | Li0.07 Mn2 O4 | F d -3 m :2 | 8.033; 8.033; 8.033 90; 90; 90 | 518.36 | Mukai, K.; Sugiyama, J.; Kamazawa, K.; Ikedo, Y.; Andreica, D.; Amato, A. Magnetic properties of the chemically delithiated Li(x) Mn2 O4 with 0.07 <= x <= 1 Journal of Solid State Chemistry, 2011, 184, 1096-1104 |
| 1514076 | CIF | Li0.95 Mn2.06 O4 | F d -3 m :2 | 8.2361; 8.2361; 8.2361 90; 90; 90 | 558.68 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514077 | CIF | Li0.2 Mn1.9 O4 | F d -3 m :2 | 8.096; 8.096; 8.096 90; 90; 90 | 530.7 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514078 | CIF | Li0.65 Mn2.08 O4 | F d -3 m :2 | 8.213; 8.213; 8.213 90; 90; 90 | 554 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514079 | CIF | Li0.87 Mn1.98 O4 | F d -3 m :2 | 8.258; 8.258; 8.258 90; 90; 90 | 563.2 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514080 | CIF | Li0.6 Mn2.04 O4 | F d -3 m :2 | 8.233; 8.233; 8.233 90; 90; 90 | 558.1 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514081 | CIF | Li0.1 Mn2.048 O4 | F d -3 m :2 | 8.151; 8.151; 8.151 90; 90; 90 | 541.5 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514082 | CIF | C63 H57 Cl3 N10 O6 | P 1 21/c 1 | 25.3068; 10.567; 21.5706 90; 101.372; 90 | 5655.1 | Kai-Chi Chang; In-Hao Su; Gene-Hsiang Lee; Wen-Sheng Chung Triazole- and azo-coupled calix[4]arene as a highly sensitive chromogenic sensor for Ca2+ and Pb2+ ions Tetrahedron Letters, 2007, 48, 7274-7278 |
| 1514083 | CIF | Li2 O2 | P -6 | 6.305; 6.305; 7.71 90; 90; 120 | 265.433 | Feher, F.; von Wilucki, I.; Dost, G. Ueber die Kristallstruktur des Lithiumperoxyds, Li2 O2 Chemische Berichte, 1953, 86, 1429-1437 |
| 1514084 | CIF | Li2 O2 | P 63/m m c | 3.142; 3.142; 7.65 90; 90; 120 | 65.404 | Föppl, H. Die Kristallstrukturen der Alkaliperoxyde Zeitschrift für anorganische und allgemeine Chemie, 1957, 291, 12-50 |
| 1514085 | CIF | Li2 O2 | P 63/m m c | 3.1525; 3.1525; 3.855 90; 90; 120 | 33.179 | Cota, L. G.; de la Mora, P. On the structure of lithium peroxide Chemische Berichte, 1953, 86, 1429-1437 |
| 1514086 | CIF | Li2 O | F m -3 m | 4.61; 4.61; 4.61 90; 90; 90 | 97.972 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514087 | CIF | Li2 O | F m -3 m | 4.623; 4.623; 4.623 90; 90; 90 | 98.803 | Taylor, D. Thermal expansion data: II. Binary oxides with the fluorite and rutile structure, M O2, and the antifluorite structure M2 O British Ceramic Transactions and Journal, 1984, 83, 32-37 |
| 1514088 | CIF | Li2 O | R -3 m :H | 3.624; 3.624; 7.97 90; 90; 120 | 90.649 | Masaki, N.; Doi, K.; Nasu, S.; Tanifuji, T.; Uchida, K. Gitterstruktur der Oxide, Sulfide, Selenide und Telluride des Lithiums, Natriums und Kaliums Journal of Nuclear Materials, 1979, 84, 341-342 |
| 1514089 | CIF | Li2 O2 | P 63/m m c | 3.164; 3.164; 7.724 90; 90; 120 | 66.965 | Zhuravlev, Yu. N.; Obolonskaya, O. S. Structure, mechanical stability and chemical bond in alkali metal oxides Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii), 2010, 51, 1005-1013 |
| 1514090 | CIF | Li O2 | P n n m | 3.992; 4.877; 2.961 90; 90; 90 | 57.648 | Zhuravlev, Yu. N.; Obolonskaya, O. S. Structure, mechanical stability and chemical bond in alkali metal oxides Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii), 2010, 51, 1005-1013 |
| 1514091 | CIF | Li O3 | I m m 2 | 3.053; 4.931; 5.197 90; 90; 90 | 78.237 | Zhuravlev, Yu. N.; Obolonskaya, O. S. Structure, mechanical stability and chemical bond in alkali metal oxides Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii), 2010, 51, 1005-1013 |
| 1514092 | CIF | Li2 O | F m -3 m | 4.62; 4.62; 4.62 90; 90; 90 | 98.611 | Zhuravlev, Yu. N.; Obolonskaya, O. S. Structure, mechanical stability and chemical bond in alkali metal oxides Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii), 2010, 51, 1005-1013 |
| 1514093 | CIF | Li2 O | F m -3 m | 4.728; 4.728; 4.728 90; 90; 90 | 105.69 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514094 | CIF | Li2 O | F m -3 m | 4.764; 4.764; 4.764 90; 90; 90 | 108.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514095 | CIF | Li2 O | F m -3 m | 4.782; 4.782; 4.782 90; 90; 90 | 109.4 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514096 | CIF | Li2 O | F m -3 m | 4.807; 4.807; 4.807 90; 90; 90 | 111.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514097 | CIF | Li2 O | F m -3 m | 4.837; 4.837; 4.837 90; 90; 90 | 113.2 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514098 | CIF | Li2 O | F m -3 m | 4.689; 4.689; 4.689 90; 90; 90 | 103.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514099 | CIF | Mn O | F m -3 m | 4.446; 4.446; 4.446 90; 90; 90 | 87.88 | Sasaki, Satoshi; Fujino, Kiyoshi; Takéuchi, Yoshio X-Ray Determination of Electron-Density Distributions in Oxides, MgO, MnO, CoO, and NiO, and Atomic Scattering Factors of their Constituent Atoms Proceedings of the Japan Academy, Series B: Physical and Biological Sciences, 1979, 55, 43-48 |
| 1514100 | CIF | Mn5 O8 | C 1 2/m 1 | 10.347; 5.724; 4.852 90; 109.41; 90 | 271.033 | Oswald, H. R.; Wampetich, M. J. Die Kristallstrukturen von Mn5 O8 und Cd2 Mn3 O8 Helvetica Chimica Acta, 1967, 50, 2023-2034 |
| 1514101 | CIF | Mn O2 | P 42/m n m | 4.388; 4.388; 2.865 90; 90; 90 | 55.16 | Kondrashev, Yu. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya, 1951, 15, 179-186 |
| 1514102 | CIF | Mn O2 | P b n m | 4.533; 9.27; 2.866 90; 90; 90 | 120.4 | Bystroem, A. M. The crystal structure of ramsdellite, an orthorhombic modification of Mn O2 Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 163-173 |
| 1514103 | CIF | Mn2 O3 | P b c a | 9.4118; 9.4177; 9.4233 90; 90; 90 | 835.26 | Norrestam, R. Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry Acta Chemica Scandinavica (1-27,1973-42,1988), 1967, 21, 2871-2884 |
| 1514104 | CIF | Mn3 O4 | P b c m | 3.026; 9.769; 9.568 90; 90; 90 | 282.84 | Kuznetsov, L. M.; Tsvigunov, A. N.; Brudina, K. P. Pressure diagram of manganese(II,III) oxide and crystal structure of the high pressure phase of delta-manganese(II,III) oxide Geokhimiya, 1979, 1979, 254-260 |
| 1514105 | CIF | Mn O | F m -3 m | 4.444; 4.444; 4.444 90; 90; 90 | 87.77 | Kuriyama, M.; Hosoya, S. X-ray measurement of scattering factors of manganese and oxygen in manganous oxide Journal of the Physical Society of Japan, 1962, 17, 1022-1029 |
| 1514106 | CIF | Mn2 O3 | I a -3 | 9.42; 9.42; 9.42 90; 90; 90 | 835.897 | Fert, A. Structure de quelques oxydes de terres rares Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1962, 85, 267-270 |
| 1514107 | CIF | Mn2 O3 | I a -3 | 9.41; 9.41; 9.41 90; 90; 90 | 833.2 | Aminoff, G. Lattice dimensions and space group of braunite Kunglia Svenska Vetenskaps Akademiens Handlingar, 1931, 9, 14-22 |
| 1514108 | CIF | Mn O | F m -3 m | 4.41; 4.41; 4.41 90; 90; 90 | 85.766 | Levi, G. R. The crystal structure of Mn O Rendiconti dell`Istituto Lombardo di Science e Lettere Classe di Science Mathematiche e Naturali, 1924, 57, 619-624 |
| 1514109 | CIF | Mn O2 | P b n m | 4.513; 9.264; 2.859 90; 90; 90 | 119.53 | Miura, H.; Kudou, H.; Choi, J. H.; Hariya, Y. The crystal structure of ramsdellite from Pirika mine Journal of the Faculty of Science, Hokkaido University, Series 4, 1990, 22, 611-617 |
| 1514110 | CIF | Mn O2 | P 42/m n m | 4.4; 4.4; 2.87 90; 90; 90 | 55.563 | John, A. S. Crystal structure of the rutile type Physical Review (1,1893-132,1963/141,1966-188,1969), 1923, 21, 389-389 |
| 1514111 | CIF | Mn O | F m -3 m | 4.444; 4.444; 4.444 90; 90; 90 | 87.765 | Jay, A. H.; Andrews, K. W. Note on oxide systems pertaining to steel - making furnace slags: Fe O - Mn O, Fe O - Mg O, Ca O - Mn O, Mg O - Mn O Journal of the Iron and Steel Institute (London), 1945, 152, 15-18 |
| 1514112 | CIF | Mn2 O7 | P 1 21/c 1 | 6.7956; 16.6868; 9.4539 90; 100.2; 90 | 1055.1 | Simon, A.; Dronskowski, R.; Krebs, B.; Hettich, B. Die Kristallstruktur von Mn2 O7 Angewandte Chemie (German Edition), 1987, 99, 160-161 |
| 1514113 | CIF | Mn2 O3 | I a -3 | 9.43; 9.43; 9.43 90; 90; 90 | 838.562 | Hase, W. Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3, Tm2 O3 und alpha-Mn2 O3 Physica Status Solidi, 1963, 3, 446-449 |
| 1514114 | CIF | Mn O | F m -3 m | 4.442; 4.442; 4.442 90; 90; 90 | 87.647 | Barrett, C. A.; Evans, E. B. Solid solubility and lattice parameter of Ni O - Mn O Journal of the American Ceramic Society, 1964, 47, 533-533 |
| 1514115 | CIF | Mn3 O4 | I 41/a m d :2 | 5.765; 5.765; 9.442 90; 90; 90 | 313.81 | Jarosch, D. Crystal structure refinement and reflectance measurements of hausmannite, Mn3 O4 Mineralogy and Petrology, 1987, 37, 15-23 |
| 1514116 | CIF | Mn0.98 O2 | I 4/m | 9.7876; 9.7876; 2.865 90; 90; 90 | 274.459 | Rossouw, M. H.; Liles, D. C.; Thackeray, M. M.; David, W. I. F.; Hull, S. Alpha manganese dioxide for lithium batteries: a structural and electrochemical study Materials Research Bulletin, 1992, 27, 221-230 |
| 1514117 | CIF | Mn O2 | P 42/m n m | 4.4041; 4.4041; 2.8765 90; 90; 90 | 55.793 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Powder neutron diffraction study of pyrolusite, beta-Mn O2 Australian Journal of Chemistry, 1993, 46, 939-944 |
| 1514118 | CIF | Mn O | F m -3 m | 4.443; 4.443; 4.443 90; 90; 90 | 87.706 | Brooksbank, D.; Andrews, K. W. Thermal expansion of some inclusions found in steels and relation to tessellated stresses Journal of the Iron and Steel Institute (London), 1968, 206, 593-599 |
| 1514119 | CIF | Mn2 O3 | I a -3 | 9.408; 9.408; 9.408 90; 90; 90 | 832.706 | Morozov, I. S.; Kuznetsov, V. G. The crystal structure of Mn2 O3 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1949, 1949, 343-353 |
| 1514120 | CIF | Mn3 O4 | I 41/a m d :1 | 5.763; 5.763; 9.456 90; 90; 90 | 314.054 | Boucher, B.; Buhl, R.; Perrin, M. Proprietes et structure magnetique de Mn3 O4 Journal of Physics and Chemistry of Solids, 1971, 32, 2429-2437 |
| 1514121 | CIF | Mn3 O4 | I 41/a m d :1 | 5.7574; 5.7574; 9.4239 90; 90; 90 | 312.38 | Baron, V.; Gutzmer, J.; Rundloef, H.; Tellgren, R. The influence of iron substitution on the magnetic properties of hausmannite, Mn(2+) (Mn, Fe)2(3+) O4 American Mineralogist, 1998, 83, 786-793 |
| 1514122 | CIF | C48 H38 N6 O5 | P b c a | 18.444; 15.948; 25.573 90; 90; 90 | 7522 | Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures. The journal of physical chemistry. A, 2014, 118, 2288-2297 |
| 1514123 | CIF | C38 H58 Fe P2 | P 1 21 1 | 13.1315; 9.8741; 13.7239 90; 103.615; 90 | 1729.46 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
| 1514124 | CIF | C38 H46 Fe P2 | P 1 21 1 | 13.2558; 9.2386; 13.4456 90; 99.992; 90 | 1621.64 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
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