Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1520322 | CIF | C76 H72 Cu6 Ge N24 O64 W12 | P -1 | 11.6025; 15.9736; 15.9849 104.371; 91.222; 100.534 | 2814.5 | Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium Inorganics, 2015, 3, 194 |
| 1520323 | CIF | C46 H62 Cu3.5 N19 O59 Si W12 | P -1 | 11.9426; 12.8151; 30.0533 101.508; 90.346; 105.544 | 4333.58 | Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium Inorganics, 2015, 3, 194 |
| 1520324 | CIF | C76 H88 Cu6 Ge N24 O72 W12 | P -1 | 11.711; 15.9628; 17.0341 107.057; 94.372; 100.971 | 2958.92 | Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium Inorganics, 2015, 3, 194 |
| 1520325 | CIF | C76 H72 Cu6 N24 O64 Si W12 | P -1 | 11.6039; 15.9379; 15.9984 104.292; 91.168; 100.599 | 2811.55 | Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium Inorganics, 2015, 3, 194 |
| 1520326 | CIF | C76 H88 Cu6 N24 O72 Si W12 | P -1 | 11.7014; 15.9523; 17.0285 107.102; 94.393; 101.008 | 2952.16 | Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium Inorganics, 2015, 3, 194 |
| 1520327 | CIF | C45 H84 Br Mo6 N3 O18 S | P 1 21/n 1 | 11.03023; 16.9232; 32.4507 90; 98.8238; 90 | 5985.78 | Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris A Heteroaromatically Functionalized Hexamolybdate Inorganics, 2015, 3, 82 |
| 1520328 | CIF | C26 H22 Br N S | P 1 21/n 1 | 12.5989; 11.5694; 15.267 90; 101.954; 90 | 2177.09 | Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris A Heteroaromatically Functionalized Hexamolybdate Inorganics, 2015, 3, 82 |
| 1520763 | CIF | C20 H30 Mo6 N4 Na4 O48 P4 | P -1 | 9.024; 19.4282; 21.1568 103.992; 95.5616; 103.407 | 3454.8 | Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties Inorganics, 2015, 3, 279 |
| 1520764 | CIF | C20 H30 K3.5 Mo6 N4 Na0.5 O45.5 P4 | P -1 | 17.9501; 19.4745; 19.8487 76.188; 69.59; 76.669 | 6231.6 | Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties Inorganics, 2015, 3, 279 |
| 1520765 | CIF | C32 H102.5 Mo8 N14 O53.25 P4 | P -1 | 17.6023; 22.134; 28.323 97.443; 95.464; 107.43 | 10334.2 | Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties Inorganics, 2015, 3, 279 |
| 1520766 | CIF | C2 H499 As8 Cs8.5 Na34.5 O538 W81 Y8 | P -1 | 21.7759; 32.0368; 33.0799 94.172; 107.537; 90.561 | 21934.4 | Ibrahim, Masooma; Bassil, Bassem; Kortz, Ulrich Synthesis and Characterization of 8-Yttrium(III)-Containing 81-Tungsto-8-Arsenate(III), [Y8(CH3COO)(H2O)18(As2W19O68)4(W2O6)2(WO4)]43− Inorganics, 2015, 3, 267 |
| 1520774 | CIF | Bi2 Sn Te4 | R -3 m :H | 4.3954; 4.3954; 41.606 90; 90; 120 | 696.119 | Adouby, K.; Abba Toure, A.; Kra, G.; Olivier-Fourcade, J.; Vicente, C.P.; Jumas, J.C. Phase diagram and local environment of Sn and Te: Sn Te - Bi and Sn Te - Bi2 Te3 systems C.R. Acad. Sci. Paris, T. 1, Serie II, 2000, 3, 51-58 |
| 1520964 | CIF | H6 O12 P3 Rb Sr | P n m a | 9.12; 8.141; 15.234 90; 90; 90 | 1131.06 | El Kababi, K.; Sbai, K.; Vilminot, S. Synthesis, thermal behaviour and crystal structure of Rb Sr P3 O9 . 3(H2 O) C.R. Acad. Sci. Paris, T. 1, Serie II, 2000, 3, 693-701 |
| 1521755 | CIF | Nb Ni3 | I 4/m m m | 3.62; 3.62; 7.41 90; 90; 90 | 97.104 | Kaufman, A.; Hoffman, N. J.; Lipson, H. Intensity anomalies in the X-ray diffraction pattern of Ni~3~Nb and their relationship to those for martensite Scripta Metallurgica, 1969, 3, 715-720 |
| 1522012 | CIF | Nb0.35 Pt0.65 | F m -3 m | 3.9638; 3.9638; 3.9638 90; 90; 90 | 62.278 | Kimura, H.; Ho, A. The platinum-niobium system Transactions of the National Research Institute for Metals, 1961, 3, 27-34 |
| 1522088 | CIF | Ba0.829 Ce0.11 O3 Sr0.171 Ti0.89 | P m -3 m | 3.976; 3.976; 3.976 90; 90; 90 | 62.855 | Varatharajan, R.; Santhanaraghavan, P.; Right, L.; Bocelli, G.; Jayavel, R.; Ramasamy, P. Ba Sr Ti Ce O3 : growth and crystal structure Crystal Engineering, 2000, 3, 195-2000 |
| 1522090 | CIF | Ba0.592 O3 Sr0.408 Ti | P m -3 m | 3.985; 3.985; 3.985 90; 90; 90 | 63.283 | Varatharajan, R.; Santhanaraghavan, P.; Jayavel, R.; Bocelli, G.; Right, L.; Ramasamy, P. Ba Sr Ti Ce O3 : growth and crystal structure Crystal Engineering, 2000, 3, 195-2000 |
| 1522092 | CIF | Ba0.994 Ce0.063 O3 Sr0.006 Ti0.937 | P m -3 m | 3.99; 3.99; 3.99 90; 90; 90 | 63.521 | Varatharajan, R.; Santhanaraghavan, P.; Jayavel, R.; Bocelli, G.; Right, L.; Ramasamy, P. Ba Sr Ti Ce O3 : growth and crystal structure Crystal Engineering, 2000, 3, 195-2000 |
| 1522296 | CIF | Ni Ta2 | I 4/m c m | 6.216; 6.216; 4.872 90; 90; 90 | 188.248 | Kripyakevich, P.I.; Pylaeva, E.N. Crystal structure of the compound Ta2 Ni Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1962, 3, 35-37 |
| 1522371 | CIF | Li Mg | I m -3 m | 3.484; 3.484; 3.484 90; 90; 90 | 42.29 | Levinson, D.W. On the lattice parameter of Mg-Li beta alloys Acta Metallurgica, 1955, 3, 294-295 |
| 1522441 | CIF | Np Pu | I m -3 m | 3.565; 3.565; 3.565 90; 90; 90 | 45.308 | Mardon, P.G.; Pearce, J.H.; Marples, J.A.C. Constitution studies on the neptunium-plutonium alloy system Journal of the Less-Common Metals, 1961, 3, 281-292 |
| 1522733 | CIF | Nb Ni3 | P m m n :1 | 5.11; 4.25; 4.54 90; 90; 90 | 98.597 | Pylaeva, E.N.; Kripyakevich, P.I.; Gladyshevskii, E.I. Crystalline structure of Ni3 Nb and Ni3 Ta compounds Zhurnal Neorganicheskoi Khimii, 1958, 3, 1626-1631 |
| 1522734 | CIF | Ni3 Ta | P m m n :1 | 5.1; 4.24; 4.52 90; 90; 90 | 97.74 | Pylaeva, E.N.; Gladyshevskii, E.I.; Kripyakevich, P.I. Crystal structure of Ni3 Nb and Ni3 Ta compounds Zhurnal Neorganicheskoi Khimii, 1958, 3, 1626-1631 |
| 1522778 | CIF | Fe Ti | P m -3 m | 2.976; 2.976; 2.976 90; 90; 90 | 26.357 | Ray, R.; Giessen, B.C.; Grant, N.J. The constitution of metastable titanium-rich Ti-Fe alloys: An order-disorder transition Metallurgical Transactions, 1972, 3, 627-629 |
| 1522821 | CIF | Mg2 Zn11 | P m -3 | 8.552; 8.552; 8.552 90; 90; 90 | 625.465 | Samson, S. Die Kristallstruktur des Mg2 Zn11. Isomorphie zwischen Mg2 Zn11 und Mg2 Cu6 Al5 Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 835-843 |
| 1522828 | CIF | Ga0.1 V0.9 | I m -3 m | 3.05; 3.05; 3.05 90; 90; 90 | 28.373 | Savitskii, E.M.; Baron, V.V.; Kripyakevich, P.I.; Efimov, Yu.V. Phase diagram of the vanadium-gallium system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1967, 3, 45-53 |
| 1522941 | CIF | Mn0.2 Sb0.8 | R -3 m :H | 4.26; 4.26; 5.68 90; 90; 120 | 89.268 | Speight, J.D. Metastable phases in liquid-quenched alloys of chromium and manganese with antimony Metallurgical Transactions, 1972, 3, 1011-1012 |
| 1522991 | CIF | Os0.1 W0.9 | I m -3 m | 3.1572; 3.1572; 3.1572 90; 90; 90 | 31.471 | Taylor, A.; Kagle, B.J.; Doyle, N.J. The constitution diagram of the tungsten-osmium binary system Journal of the Less-Common Metals, 1961, 3, 333-347 |
| 1522992 | CIF | Hf0.6 Mo0.4 | I m -3 m | 3.37; 3.37; 3.37 90; 90; 90 | 38.273 | Taylor, A.; Doyle, N.J.; Kagle, B.J. The constitution diagram of the Mo-Hf binary system Journal of the Less-Common Metals, 1961, 3, 265-280 |
| 1523058 | CIF | Gd0.1 Zr0.9 | P 63/m m c | 3.225; 3.225; 5.19 90; 90; 120 | 46.747 | Wang, R. Formation of metastable low-temperature allotropic solid solutions in rare-earth-zirconium systems Metallurgical Transactions, 1972, 3, 1213-1221 |
| 1523059 | CIF | Ho Zr | P 63/m m c | 3.38; 3.38; 5.34 90; 90; 120 | 52.833 | Wang, R. Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems Metallurgical Transactions, 1972, 3, 1213-1221 |
| 1523080 | CIF | Mg3 Ru2 | P 41 3 2 | 6.929; 6.929; 6.929 90; 90; 90 | 332.669 | Westin, L.; Edshammar, L.E. Intermetallic compounds in the ruthenium-magnesium system Chemica Scripta, 1973, 3, 15-22 |
| 1523081 | CIF | Mg43.83 Ru7.17 | F -4 3 m | 20.19; 20.19; 20.19 90; 90; 90 | 8230.17 | Westin, L.; Edshammar, L.E. Intermetallic compounds in the ruthenium-magnesium system Chemica Scripta, 1973, 3, 15-22 |
| 1523258 | CIF | Ni Tl | P 63/m m c | 4.426; 4.426; 5.535 90; 90; 120 | 93.901 | Bitti, R. R.; Cascioli, V. A new NiAs type phase obtained by simultaneous evaporation of Ni and Tl Scripta Metallurgica, 1969, 3, 731-733 |
| 1523330 | CIF | Ni2 Tm | F d -3 m :1 | 7.105; 7.105; 7.105 90; 90; 90 | 358.668 | Burzo, E.; Laforest, J. Crystallographic, magnetic, and E.P.R. studies of rare-earth and yttrium-nickel Laves phases International Journal of Magnetism, 1972, 3, 171-177 |
| 1523399 | CIF | Mn Ni Zr | F d -3 m :1 | 7.017; 7.017; 7.017 90; 90; 90 | 345.505 | Cherkashin, E.E.; Gladyshevskii, E.I.; Kripyakevich, P.I.; Kuz'ma, Yu.B. X-ray structural analysis of certain systems of transition metals Zhurnal Neorganicheskoi Khimii, 1958, 3, 650-653 |
| 1523596 | CIF | Mn0.52 Zn0.48 | P 63/m m c | 2.7339; 2.7339; 4.455 90; 90; 120 | 28.837 | Farrar, R.A.; King, H.W. Axial ratios and solubility limits of hcp eta and epsilon phases in the systems Cd-Mn and Zn-Mn Metallography, 1970, 3, 61-70 |
| 1524241 | CIF | Mn Y | I 41/a m d :1 | 7.74002; 7.74002; 7.70009 90; 90; 90 | 461.296 | Cywinski, R.; Kilcoyne, S.H.; Scott, C.A. Magnetic order and moment stability in Y Mn2 Journal of Physics: Condensed Matter, 1991, 3, 6473-6488 |
| 1524334 | CIF | Cl3 H15 N5 Rh | P n m a | 13.36; 10.46; 6.741 90; 90; 90 | 942.025 | Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F. Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2 Journal of Crystal and Molecular Structure, 1973, 3, 235-245 |
| 1524335 | CIF | Br3 H15 N5 Rh | P n m a | 13.8; 10.83; 6.974 90; 90; 90 | 1042.29 | Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F. Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2 Journal of Crystal and Molecular Structure, 1973, 3, 235-245 |
| 1524341 | CIF | Cd0.995 Mn0.005 | P 63/m m c | 2.9803; 2.9803; 5.6204 90; 90; 120 | 43.233 | Farrar, R.A.; King, H.W. Axial ratios and solubility limits of H.C.P. eta and epsilon phases in th systems Cd-Mn and Zn-Mn Metallography, 1970, 3, 61-70 |
| 1524432 | CIF | Cr0.2 Mo0.4 Nb0.4 | I m -3 m | 3.181; 3.181; 3.181 90; 90; 90 | 32.188 | Goldschmidt, H.J.; Brand, J.A. The constitution of the Cr - Nb - Mo system Journal of the Less-Common Metals, 1961, 3, 44-61 |
| 1524478 | CIF | Na S2 Ti | P 63/m m c | 3.434; 3.434; 13.9 90; 90; 120 | 141.953 | Haange, R.J.; Bos-Alberink, A.J.A.; Wiegers, G.A. Structures and phase relations for Na Ti S2 and compounds Nax Ti Se2, prepared at temperatures of 473 - 1073 K Annales de Chimie (Paris), 1978, 3, 201-207 |
| 1524688 | CIF | K0.37 O3 W | P 4/m b m | 12.2605; 12.2605; 3.8259 90; 90; 90 | 575.109 | Kihlborg, L.; Klug, A. The alkali metal distribution in the tetraqonal potassium tungsten bronze structure Chemica Scripta, 1973, 3, 207-211 |
| 1524823 | CIF | Cr Se0.5 Te0.5 | P 63/m m c | 3.87; 3.87; 6.15 90; 90; 120 | 79.768 | Lotgering, F.K.; Gorter, E.W. Solid solutions betweeen ferromagnetic and antiferromagnetic compounds with Ni As structure Journal of Physics and Chemistry of Solids, 1957, 3, 238-249 |
| 1524961 | CIF | D30 Ir Sr2 | F m -3 m | 7.62; 7.62; 7.62 90; 90; 90 | 442.451 | Moyer, R.O.jr.; Stanitski, C.; Tanaka, J.; Kay, M.I.; Kleinberg, R. Ternary hydrides of calcium and strontium with iridium, rhodium and ruthenium Journal of Solid State Chemistry, 1971, 3, 541-541 |
| 1524976 | CIF | Cu2 In Mn | F -4 3 m | 6.187; 6.187; 6.187 90; 90; 90 | 236.832 | Natera, M.G.; Murthy, M.R.L.N.; Begum, R.J.; Satya Murthy, N.S. Atomic and magnetic structure of the Heusler alloys Pd2 Mn Ge, Pd2 Mn Sn, Cu2 Mn In, and Co2 Mn Sb Physica Status Solidi, Sectio A: Applied Research, 1970, 3, 959-964 |
| 1525444 | CIF | Er Zr | P 63/m m c | 3.385; 3.385; 5.345 90; 90; 120 | 53.039 | Wang, R. Formation of metastable low temperature allotropic solid solutions on rare earth-zirconium systems Metallurgical Transactions, 1972, 3, 1213-1221 |
| 1525445 | CIF | Dy Zr | P 63/m m c | 3.4; 3.4; 5.37 90; 90; 120 | 53.76 | Wang, R. Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems Metallurgical Transactions, 1972, 3, 1213-1221 |
| 1525567 | CIF | Cl H8 O7.5 | P b c a | 12.115; 19.708; 10.11 90; 90; 90 | 2413.89 | Almloef, J. Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5 Chemica Scripta, 1973, 3, 73-79 |
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