Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000442 | CIF | Al2 O3 | P n a 21 | 4.8437; 8.33; 8.9547 90; 90; 90 | 361.3 | Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study Journal of Materials Chemistry, 1997, 7, 1049-1056 |
| 1001669 | CIF | Hg O14 P4 V2 | P -1 | 4.848; 6.892; 8.077 92.65; 93.26; 106.23 | 258.2 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
| 1001670 | CIF | O14 P4 Pb V2 | P -1 | 4.804; 7.113; 7.898 89.78; 92.62; 106.1 | 259 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
| 1001671 | CIF | Cu Nd2 O3.5 | I m m m | 4.237; 3.7675; 11.917 90; 90; 90 | 190.2 | Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry, 1994, 4, 895-898 |
| 1001710 | CIF | Cu Fe O6 Pb2 Sr2 | C m m m | 5.4604; 5.5227; 12.2112 90; 90; 90 | 368.2 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1001711 | CIF | Cu Fe O6 Pb2 Sr2 | P 2 a n | 5.4606; 5.5228; 12.2112 90; 90; 90 | 368.3 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1001712 | CIF | Cu Fe O6 Pb2 Sr2 | P 21 a m | 5.4604; 5.5227; 12.211 90; 90; 90 | 368.2 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1004109 | CIF | Ni3 O9 Sr4 | P 3 2 1 | 9.477; 9.477; 7.825 90; 90; 120 | 608.6 | Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry, 1994, 4, 1763-1764 |
| 1004117 | CIF | Bi0.72 Eu0.28 O4 V | I 41/a :2 | 7.28296; 7.28296; 6.43407 90; 90; 90 | 341.3 | Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence Journal of Materials Chemistry, 1996, 6, 385-389 |
| 1004130 | CIF | Bi0.72 Eu0.28 O4 V | I 41/a m d :2 | 7.28296; 7.28296; 6.43407 90; 90; 90 | 341.3 | Blin, J L; Lorriaux-Rubbens, A; Wallart, F; Wignacourt, J P Synthesis and structural investigation of the Eu1-x Bix V O4 scheelite phase: X-ray diffraction, Raman scattering and Eu(3+) luminescence Journal of Materials Chemistry, 1996, 6, 385-389 |
| 1006097 | CIF | Cu La2 O6 Ti | P n m a | 5.6262; 7.8396; 5.5702 90; 90; 90 | 245.7 | Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction Journal of Materials Chemistry, 1993, 3, 1171-1177 |
| 1008525 | CIF | As6 In4 K4 | P 1 21/c 1 | 14.323; 7.106; 15.795 90; 90.3; 90 | 1607.6 | Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb Journal of Materials Chemistry, 1991, 1, 555-558 |
| 1008526 | CIF | In4 K4 Sb6 | P 1 21/c 1 | 15.288; 7.544; 16.79 90; 90.54; 90 | 1936.3 | Birdwishtell, T L T; Klein, C L; Jeffries, T; Stevens, E D; O'Connor, C J Synthesis and crystal structures of the layered I-III-V Zintl phases, K~4~In~4~X~6~, where X=As, Sb Journal of Materials Chemistry, 1991, 1, 555-558 |
| 1008901 | CIF | Ce3 I S8 Si2 | C 1 2/c 1 | 15.9634; 7.8502; 10.8664 90; 97.931; 90 | 1348.7 | Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J Characterization of Ce3 (Si S4)2 I, a compound with a new structure type Journal of Materials Chemistry, 1998, 8, 179-186 |
| 1513969 | CIF | Li Mn2 O3.868 | F d -3 m :2 | 8.24609; 8.24609; 8.24609 90; 90; 90 | 560.718 | Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R. Synthesis, structure and phase relationship in lithium manganese oxide spinel Journal of Materials Chemistry, 2004, 14, 1948-1958 |
| 2000133 | CIF | C2 H16 F3 Ga3 N2 O12 P2 | P 42/n c m :2 | 10.043; 10.043; 13.828 90; 90; 90 | 1394.7 | Matijasic, Alain; Gramlich, Volker; Patarin, Joël Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20 Journal of Materials Chemistry, 2001, 11, 2553 |
| 6000062 | CIF | Ba2 Nd O6 Ru | P 1 21/n 1 | 5.9888; 5.9916; 8.4667 90; 90.026; 90 | 303.81 | Izumiyama, Y.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y. Magnetic and neutron diffraction studies of the ordered perovskite Ba2NdRuO6 Journal of Materials Chemistry, 2000, 10, 2364-2367 |
| 6000095 | CIF | H3 Mo12 O40 P | R 3 | 11.48; 11.48; 87.46 90; 90; 120 | 9982.15 | Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O. Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O Journal of Materials Chemistry, 2000, 10, 1949-1955 |
| 6000127 | CIF | Al12 Ce10 N36 O18 Si18 Sr3 | I -4 3 m | 13.382; 13.382; 13.382 90; 90; 90 | 2396.4 | Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N Journal of Materials Chemistry, 2000, 10, 1357-1364 |
| 6000128 | CIF | Al12 N36 O18 Pr10 Si18 Sr3 | I -4 3 m | 13.3454; 13.3454; 13.3454 90; 90; 90 | 2376.81 | Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N Journal of Materials Chemistry, 2000, 10, 1357-1364 |
| 6000129 | CIF | Al12 N36 Nd10 O18 Si18 Sr3 | I -4 3 m | 13.3285; 13.3285; 13.3285 90; 90; 90 | 2367.79 | Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N Journal of Materials Chemistry, 2000, 10, 1357-1364 |
| 6000270 | CIF | Mn3 O8 Ta2 | I 41/a | 11.2728; 11.2728; 9.803 90; 90; 90 | 1245.73 | Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S. Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data Journal of Materials Chemistry, 1999, 9, 1575-1578 |
| 6000355 | CIF | C2 H10 F4 N2 O8 P2 Ti2 | P 1 21/c 1 | 7.508; 8.881; 8.961 90; 107.22; 90 | 570.72 | Serre, C.; Ferey, G. Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O Journal of Materials Chemistry, 1999, 9, 579-584 |
| 6000356 | CIF | C3 H14 F4 N2 O9 P2 Ti2 | C 1 2 1 | 16.82; 6.333; 6.331 90; 106.2; 90 | 647.61 | Serre, C.; Ferey, G. Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O Journal of Materials Chemistry, 1999, 9, 579-584 |
| 6000375 | CIF | C15 H30 Nd2 O18 | C 1 2/c 1 | 8.1174; 15.1841; 19.8803 90; 93.762; 90 | 2445.07 | Serpaggi, F.; Ferey, G. Hybrid open frameworks (MIL-n). Part 4 - Synthesis and crystal structure of MIL-8, a series of lanthanide glutarates with an open framework, [Ln(H2O)](2)[O2C(CH2)(3)CO2](3).4H(2)O Journal of Materials Chemistry, 1998, 8, 2737-2741 |
| 6000376 | CIF | C3 H7 Gd O6 P2 | C 1 2/m 1 | 8.2141; 18.9644; 5.2622 90; 111.999; 90 | 760.04 | Serpaggi, F.; Ferey, G. Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3) Journal of Materials Chemistry, 1998, 8, 2749-2755 |
| 6000377 | CIF | C2 H5 Ga O6 P2 | P 1 21/c 1 | 5.2918; 15.975; 8.338 90; 111.491; 90 | 655.86 | Serpaggi, F.; Ferey, G. Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3) Journal of Materials Chemistry, 1998, 8, 2749-2755 |
| 6000378 | CIF | C H3 O6 P2 Pr | C 1 2/m 1 | 8.3271; 14.0645; 5.3489 90; 111.433; 90 | 583.12 | Serpaggi, F.; Ferey, G. Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3) Journal of Materials Chemistry, 1998, 8, 2749-2755 |
| 6000388 | CIF | Mn3 O8 Ta2 | I 41/a | 11.2728; 11.2728; 9.803 90; 90; 90 | 1245.73 | Esmaeilzadeh, S.; Grins, J.; Fitch, A. Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data Journal of Materials Chemistry, 1998, 8, 2493-2497 |
| 6000423 | CIF | Co3 La3 O8 | P 1 21 1 | 5.5593; 5.4151; 11.773 90; 90.144; 90 | 354.42 | Hansteen, O. H.; Fjellvag, H.; Hauback, B. C. Crystal structure, thermal and magnetic properties of La3Co3O8. Phase relations for LaCoO3-delta (0.00 <=delta <= 0.50) at 673 k Journal of Materials Chemistry, 1998, 8, 2081-2088 |
| 6000424 | CIF | Co3 La4 O9 | P n m a | 5.4572; 28.553; 5.6542 90; 90; 90 | 881.03 | Hansteen, O. H.; Fjellvag, H.; Hauback, B. C. Crystal structure, thermal and magnetic properties of La4Co3O9. Phase relations for La4Co3O10-delta (0.00 <=delta <= 1.00) at 673 k Journal of Materials Chemistry, 1998, 8, 2089-2093 |
| 6000442 | CIF | Fe Mo3 N | F d -3 m | 11.0763; 11.0763; 11.0763 90; 90; 90 | 1358.9 | Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A. Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2) Journal of Materials Chemistry, 1998, 8, 1901-1909 |
| 6000443 | CIF | Co Mo3 N | F d -3 m | 11.024; 11.024; 11.024 90; 90; 90 | 1339.72 | Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A. Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2) Journal of Materials Chemistry, 1998, 8, 1901-1909 |
| 6000444 | CIF | Mo3 N Ni2 | P 41 3 2 | 6.6342; 6.6342; 6.6342 90; 90; 90 | 291.99 | Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A. Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2) Journal of Materials Chemistry, 1998, 8, 1901-1909 |
| 6000465 | CIF | C4 H16 Al3 Mg N3 O17 P4 | P b c m | 9.2769; 14.798; 14.611 90; 90; 90 | 2005.79 | Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P. Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28 Journal of Materials Chemistry, 2001, 11, 1242-1247 |
| 6000466 | CIF | C4 H14 Al3 Mg N3 O16 P4 | P b c m | 9.2186; 14.8652; 14.5811 90; 90; 90 | 1998.14 | Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P. Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28 Journal of Materials Chemistry, 2001, 11, 1242-1247 |
| 6000518 | CIF | C5 H19 F3 Ga3 N3 O12 P3 | P 21 21 21 | 8.8107; 10.2258; 20.9082 90; 90; 90 | 1883.75 | Paulet, C.; Loiseau, T.; Ferey, G. Hydrothermal synthesis (in water-dimethylformamide) and crystal structure of MIL-30, a new layered fluorinated gallium phosphate with 1,3-diaminopropane and dimethylamine as templates Journal of Materials Chemistry, 2000, 10, 1225-1229 |
| 6000525 | CIF | Al O4 P | P c c 2 | 13.794; 23.9; 8.4168 90; 90; 90 | 2774.82 | Mora, A. J.; Fitch, A. N.; Cole, M.; Goyal, R.; Jones, R. H.; Jobic, H.; Carr, S. W. The structure of the calcined aluminophosphate AlPO(4)-5 determined by high-resolution X-ray and neutron powder diffraction Journal of Materials Chemistry, 1996, 6, 1831-1835 |
| 6000545 | CIF | D6 K O9 P U | P 21 c n | 6.9931; 6.9733; 17.6113 90; 90; 90 | 858.81 | Cole, M.; Fitch, A. N.; Prince, E. Low-temperature structure of KUO2PO4.3D2O determined from combined synchrotron radiation and neutron powder diffraction measurements Journal of Materials Chemistry, 1993, 3, 519-522 |
| 6000644 | CIF | As Li O4 Zn | R 3 | 14.009; 14.009; 9.386 90; 90; 120 | 1595.24 | Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A. Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4 Journal of Materials Chemistry, 1998, 8, 969-975 |
| 6000645 | CIF | Nb O3 Sr0.97 | P 21 21 21 | 5.6881; 5.6821; 8.0566 90; 90; 90 | 260.39 | Peng, N. H.; Irvine, J. T. S.; Fitzgerald, A. G. Synthesis and crystal structure of the distorted perovskite Sr0.97NbO3 determined by high resolution powder neutron diffraction Journal of Materials Chemistry, 1998, 8, 1033-1038 |
| 6000675 | CIF | Cr O4 V | C 1 2/m 1 | 9.791; 8.848; 6.834 90; 107.8; 90 | 563.69 | Touboul, M.; Melghit, K. Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V) Journal of Materials Chemistry, 1995, 5, 147-150 |
| 6000676 | CIF | Cr2 O13 V4 | ? | 8.277; 9.291; 7.527 90; 109.26; 90 | 546.44 | Touboul, M.; Melghit, K. Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V) Journal of Materials Chemistry, 1995, 5, 147-150 |
| 6000680 | CIF | C2 H16 Al2 N2 O12 P2 | P -1 | 10.3749; 6.6077; 9.9094 90.762; 115.265; 90.162 | 614.27 | Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P. Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants Journal of Materials Chemistry, 1999, 9, 1591-1598 |
| 6000681 | CIF | C2 H12 Al2 N2 O10 P2 | P 1 21/c 1 | 10.289; 6.7508; 9.6253 90; 116.124; 90 | 600.26 | Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P. Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants Journal of Materials Chemistry, 1999, 9, 1591-1598 |
| 6000682 | CIF | C2 H10 Al2 N2 O9 P2 | P 1 21/c 1 | 9.4218; 6.9137; 9.4082 90; 113.002; 90 | 564.12 | Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P. Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants Journal of Materials Chemistry, 1999, 9, 1591-1598 |
| 6000730 | CIF | C7 H9 Al Br O5 P | P 1 21/c 1 | 16.4972; 7.0673; 9.495 90; 113.477; 90 | 1015.39 | Chaplais, G.; Le, Bideau J; Leclercq, D.; Mutin, H.; Vioux, A. Novel aluminium phenyl, benzyl, and bromobenzylphosphonates: structural characterisation and hydration-dehydration reactions Journal of Materials Chemistry, 2000, 10, 1593-1601 |
| 6000731 | CIF | C4 H2 Cs O9 Y | P 1 2/n 1 | 8.979; 6.2299; 8.103 90; 90.05; 90 | 453.27 | Bataille, T.; Auffredic, J. P.; Louer, D. Crystal structure and thermal behaviour of the new layered oxalate Y(H2O)Cs(C2O4)(2) studied by powder X-ray diffraction Journal of Materials Chemistry, 2000, 10, 1707-1711 |
| 6000751 | CIF | Ba3 Cu3 O12 Sc4 | I 4/m c m | 11.9021; 11.9021; 8.3962 90; 90; 90 | 1189.41 | Gregory, D. H.; Mawdsley, P. R.; Barker, S. J.; Daniell, W.; Weston, D. P. Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0 <= x <= 4) Journal of Materials Chemistry, 2001, 11, 806-814 |
| 6000762 | CIF | Fe2 H3 O12 V3 | P 21 21 21 | 11.99; 9.496; 8.339 90; 90; 90 | 949.45 | Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D. Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)] Journal of Materials Chemistry, 2000, 10, 1841-1845 |
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