Crystallography Open Database

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9012513 CIFFe5 H6 O20 P4C 1 2/c 117.492; 9.038; 9.349
90; 96.23; 90
1469.28Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K.
Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD
Inorganic Chemistry, 1986, 25, 2279-2280
9012514 CIFFe3 Na O12 P3C 1 2/c 111.998; 12.328; 6.5
90; 114.185; 90
877.037Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K.
Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD
Inorganic Chemistry, 1986, 25, 2279-2280
9012515 CIFH2 Mn O5 PC 1 2/c 16.912; 7.47; 7.357
90; 112.3; 90
351.451Lightfoot, P.; Cheetham, A. K.; Sleight, A. W.
Structure of MnPO4*H2O by synchrotron X-ray powder diffraction
Inorganic Chemistry, 1987, 26, 3544-3547
9012516 CIFO2 SbP n a 215.434; 4.8091; 11.779
90; 90; 90
307.816Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C
Diantimony tetraoxides revisited Note: displacement parameters from ICSD
Inorganic Chemistry, 1988, 27, 1367-1370
9012517 CIFO2 SbC 1 2/c 112.057; 4.8352; 5.384
90; 104.56; 90
303.796Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C
Diantimony tetraoxides revisited Note: displacement parameters from ICSD
Inorganic Chemistry, 1988, 27, 1367-1370
9012518 CIFCo O14 P2 V2I 4/m m m6.264; 6.264; 13.428
90; 90; 90
526.884Kang, H. Y.; Lee, W. C.; Wang, S. L.
Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
Inorganic Chemistry, 1992, 31, 4743-4748
9012519 CIFCa H8 O14 P2 V2P 16.3484; 6.35; 6.597
106.81; 94.09; 90.02
253.867Kang, H. Y.; Lee, W. C.; Wang, S. L.
Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
Inorganic Chemistry, 1992, 31, 4743-4748
9012520 CIFH8 O14 P2 Sr V2C 1 c 19.026; 9.01; 12.841
90; 100.19; 90
1027.81Kang, H. Y.; Lee, W. C.; Wang, S. L.
Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
Inorganic Chemistry, 1992, 31, 4743-4748
9012521 CIFH6 O14 P2 Pb V2C 1 c 19.03; 9.021; 12.874
90; 100.16; 90
1032.27Kang, H. Y.; Lee, W. C.; Wang, S. L.
Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
Inorganic Chemistry, 1992, 31, 4743-4748
9012522 CIFAs Be2 H9 O9P 1 21/a 17.2349; 12.686; 8.6548
90; 98.439; 90
785.754Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.
Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O
Inorganic Chemistry, 1993, 32, 2437-2441
9012523 CIFH15 Na2 O12 P ZnP 1 21/a 16.4212; 21.612; 8.6813
90; 109.899; 90
1132.82Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D.
Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O
Inorganic Chemistry, 1993, 32, 2437-2441
9012524 CIFD6 Mn N O5 PP m n 215.7173; 8.8312; 4.8774
90; 90; 90
246.263Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 1.6 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012525 CIFD6 Mn N O5 PP m n 215.7142; 8.8255; 4.8762
90; 90; 90
245.91Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 21.4 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012526 CIFD6 Mn N O5 PP m n 215.7302; 8.8191; 4.9087
90; 90; 90
248.062Carling, S. G.; Day, P.; Visser, D.
Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD
Inorganic Chemistry, 1995, 34, 3917-3927
9012527 CIFBa H8 O14 P2 V2P 1 n 16.386; 12.7796; 6.387
90; 90.172; 90
521.244Roca, M.; Marcos, M. D.; Amoros, P.; Alamo, J.; Beltran-Porter A; Beltran-Porter D
Synthesis and crystal structure of a novel lamellar barium derivative: Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates M(VOPO4)2*nH2O
Inorganic Chemistry, 1997, 36, 3414-3421
9012528 CIFH2 In O5 PP -15.4342; 5.5508; 6.5446
97.593; 94.558; 107.565
185.064Tang, X. J.; Lachgar, A.
The missing link: synthesis, crystal structure, and thermogravimetric studies of InPO4*H2O
Inorganic Chemistry, 1998, 37, 6181-6185
9012529 CIFCa2 H4 In O13 P3C 1 2/c 17.573; 15.838; 9.3126
90; 113.55; 90
1023.93X. Tang; A. Jones; A. Lachgar; B. J. Gross; J. L. Yarger
Synthesis, crystal structure, NMR studies, and thermal stability of mixed iron-indium phosphates with quasi-one-dimensional frameworks
Inorganic Chemistry, 1999, 38, 6032-6038
9013466 CIFFe3 H6 O11 P2P b n a9.46; 10.024; 8.67
90; 90; 90
822.15Moore, P. B.; Araki, T.
A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2
Inorganic Chemistry, 1976, 15, 316-321
9013467 CIFFe3 H3 O11 P2P b n a9.518; 9.749; 8.031
90; 90; 90
745.204Moore, P. B.; Araki, T.
A mixed-valence solid-solution series: Crystal structures of phosphoferrite, Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 Note: this sample was synthesized by heating phosphoferrite in air
Inorganic Chemistry, 1976, 15, 316-321
9013468 CIFN SP 1 21/n 18.752; 7.084; 8.629
90; 93.68; 90
533.888LeLucia, M. L.; Coppens, P.
Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K
Inorganic Chemistry, 1978, 17, 2336-2338
9014052 CIFBa2 Co O7 Si2C 1 2/c 18.45; 10.729; 8.474
90; 111.365; 90
715.458Adams, R. D.; Layland, R.; Payen, C.; Datta, T.
Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 1
Inorganic Chemistry, 1996, 35, 3492-3497
9014087 CIFCl6 Co Fe H18 N6P a -311.2506; 11.2506; 11.2506
90; 90; 90
1424.06Beattie, J. K.; Moore, C. J.
Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)
Inorganic Chemistry, 1982, 21, 1292-1295
9014172 CIFBi2 Pb3 S6B b m m13.216; 20.163; 4.03
90; 90; 90
1073.89Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9014185 CIFBi2 Pb3 S6P b n m11.026; 23.023; 4.0233
90; 90; 90
1021.32Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6
Inorganic Chemistry, 2008, 47, 6756-6762
9014485 CIFBi2 Pb3 S6B b m m13.353; 20.367; 4.0615
90; 90; 90
1104.57Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 1.95 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9015014 CIFBi2 Pb3 S6P b n m10.891; 22.638; 3.9926
90; 90; 90
984.377Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 7.92 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6
Inorganic Chemistry, 2008, 47, 6756-6762
9015398 CIFBi2 Pb3 S6B b m m13.54; 20.637; 4.1103
90; 90; 90
1148.52Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 0.0001 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9015552 CIFBa Co2 O7 Si2C 1 2/c 17.2131; 12.781; 13.762
90; 90.299; 90
1268.71Adams, R. D.; Layland, R.; Payen, C.; Datta, T.
Synthesis, structural analyses, and unusual magnetic properties of Ba2CoSi2O7 and BaCo2Si2O7 Note: Compound 2
Inorganic Chemistry, 1996, 35, 3492-3497
9015566 CIFPt Sb1.347 Sn1.821I m -39.3887; 9.3887; 9.3887
90; 90; 90
827.592Liang, Y.; Borrmann, H.; Baenitz, M.; Schnelle, W.; Budnyk, S.; Zhao, J. T.; Grin, Y.
SnxPt4SnySb12-y: A skutterudite with covalently bonded filler
Inorganic Chemistry, 2008, 47, 9489-9496
9015615 CIFBi2 Pb3 S6B b m m13.28; 20.26; 4.0448
90; 90; 90
1088.27Olsen, L. A.; Balic Zunic, T.; Makovicky, E.
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 2.90 GPa Note: occupancies not refined
Inorganic Chemistry, 2008, 47, 6756-6762
9016244 CIFCl6 Fe K3 NaR -3 c :R8.3376; 8.3376; 8.3376
92.29; 92.29; 92.29
578.166Beattie, J. K.; Moore, C. J.
Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)
Inorganic Chemistry, 1982, 21, 1292-1295
9016553 CIFO3 Si SrP -16.874; 6.894; 9.717
85.01; 110.57; 104.01
418.298Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A.
High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-phase
Inorganic Chemistry, 1982, 21, 1512-1519
9016558 CIFO3 Si SrP 1 21/c 17.452; 6.066; 13.479
90; 117.09; 90
542.457Machida, K. I.; Adachi, G. Y.; Shiokawa, J.; Shimada, M.; Koizumi, M.; Suito, K.; Onodera, A.
High-pressure synthesis, crystal structures, and luminescences properties of europium(II) metasilicate and europium(II)-activated calcium and strontium metasilicates Note: known as the delta-prime-phase
Inorganic Chemistry, 1982, 21, 1512-1519
9017477 CIFAs2 Cu4 O9P n m a8.253; 6.4122; 13.789
90; 90; 90
729.712Adams, R. D.; Layland, R.; Payen, C.
Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties
Inorganic Chemistry, 1995, 34, 5397-5398
9017478 CIFAs2 Te3C 1 2/m 114.337; 4.015; 9.887
90; 95.06; 90
566.908Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E.
Polymorphism in thermoelectric As2Te3 Note: T = 300 K
Inorganic Chemistry, 2015, 54, 9936-9947

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