Crystallography Open Database

Result : There are 33 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching space group like 'A -1'

COD ID: 1001627
CIF file Formula: - Na1.7 O50 P4 W14 -
Comments: Lamire, M; Labbe, P; Goreaud, M; Raveau, B Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten bronze series A(x)(P O2)4 (W O3)2m Journal of Solid State Chemistry 66 (1987) 64-72
Space group: A -1
Cell volume: 938.7
Cell parameters: 6.575; 5.304; 27.07599; 89.62; 96.17; 90.26;  

COD ID: 1008024
CIF file Formula: - O7 V4 -
Comments: Hodeau, J L; Marezio, M The crystal structure of V~4~ O~7~ at 120K Journal of Solid State Chemistry 23 (1978) 253-263
Space group: A -1
Cell volume: 441.3
Cell parameters: 5.509; 7.008; 12.256; 95.1; 95.17; 109.25;  

COD ID: 1008025
CIF file Formula: - O7 V4 -
Comments: Hodeau, J L; Marezio, M The crystal structure of V~4~ O~7~ at 120K Journal of Solid State Chemistry 23 (1978) 253-263
Space group: A -1
Cell volume: 440
Cell parameters: 5.503; 6.997; 12.256; 94.86; 95.17; 109.39;  

COD ID: 1008048
CIF file Formula: - O7 Ti4 -
Comments: Hodeau, J L; Marezio, M Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~ Journal of Solid State Chemistry 29 (1979) 47-62
Space group: A -1
Cell volume: 464.5
Cell parameters: 5.5942; 7.1216; 12.46; 95.05; 95.19; 108.76;  

COD ID: 1008049
CIF file Formula: - O7 Ti4 -
Comments: Hodeau, J L; Marezio, M Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~ Journal of Solid State Chemistry 29 (1979) 47-62
Space group: A -1
Cell volume: 464.9
Cell parameters: 5.5943; 7.1297; 12.484; 95; 95.426; 109.023;  

COD ID: 1008050
CIF file Formula: - O7 Ti4 -
Comments: Hodeau, J L; Marezio, M Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~ Journal of Solid State Chemistry 29 (1979) 47-62
Space group: A -1
Cell volume: 466.6
Cell parameters: 5.6235; 7.1984; 12.4018; 95.056; 95.55; 109.676;  

COD ID: 1527003
CIF file Formula: - Ca0.38 F0.6 Fe5.36 H4.4 K1.97 Mg0.64 Mn0.52 Na1.13 O30.4 Si8 Ti2 -
Comments: Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Zlykhenskaya, I.V.; Khomyakov, A.R. Refined crystal structure of iron-rich triclinic astrophyllite Kristallografiya 45 (2000) 642-648
Space group: A -1
Cell volume: 1300.48
Cell parameters: 5.365; 11.88; 21.03; 84.87; 92.25; 103.01;  

COD ID: 1527513
CIF file Formula: - Ba4 Fe2 S7.3333 -
Comments: Hoggins, J.T.; Steinfink, H.; Rendon-Diazmiron, L.E. Crystal structure, Moessbauer, and magnetic behavior of mixed valence compounds in the Ba-Fe-S system: Ba3 (Ba1-x Alx) Fe2 S6 (S1-y (S2)y) Journal of Solid State Chemistry 21 (1977) 79-90
Space group: A -1
Cell volume: 1436.92
Cell parameters: 9.002; 6.7086; 24.658; 91.49; 105.1; 90.74;  

COD ID: 1527514
CIF file Formula: - Al0.4 Ba3.6 Fe2 S7.4 -
Comments: Hoggins, J.T.; Rendon-Diazmiron, L.E.; Steinfink, H. Crystal structure, Moessbauer, and magnetic behavior of mixed valence compounds in the Ba-Fe-S system: Ba3 (Ba1-x Alx) Fe2 S6 (S1-y (S2)y) Journal of Solid State Chemistry 21 (1977) 79-90
Space group: A -1
Cell volume: 1453.82
Cell parameters: 8.993; 6.78; 24.7; 91.11; 105.04; 90.9;  

COD ID: 1528718
CIF file Formula: - O7 V4 -
Comments: Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P. Structural aspects of the metal-insulator transition in V4 O7 Journal of Solid State Chemistry 6 (1973) 419-429
Space group: A -1
Cell volume: 441.771
Cell parameters: 5.514; 7.004; 12.26; 94.86; 95.14; 109.3;  

COD ID: 1528719
CIF file Formula: - O7 Ti4 -
Comments: Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P. Structural aspect of the metal-insulator transition in Ti4 O7 Journal of Solid State Chemistry 6 (1973) 213-221
Space group: A -1
Cell volume: 464.882
Cell parameters: 5.59; 7.128; 12.483; 95.03; 95.34; 108.89;  

COD ID: 2000507
CIF file

Original IUCr paper

Formula: - C10 H24 Br Cl2 Cr N4 -
Comments: Dealwis, C. G.; Janes, R. W.; Palmer, R. A.; Lisgarten, J. N.; Maes, D.; Flint, C. D.; Gazi, D. M. Structures of chromium(III) cyclam complexes. 3. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) bromide Acta Crystallographica Section C 48(10) (1992) 1754-1756
Space group: A -1
Cell volume: 787.2
Cell parameters: 6.44; 16.608; 7.641; 86.61; 89.21; 105.13;  

COD ID: 2017836
CIF file

HKL data

Original IUCr paper

Formula: - C6 H24 Cu N6 O4 S -
Comments: Lutz, Martin Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section C 66(11) (2010) m330-m335
Space group: A -1
Cell volume: 2600.5
Cell parameters: 8.8749; 17.6358; 19.1559; 89.582; 90.296; 119.845;  

COD ID: 2107012
CIF file Formula: - O4 Pb2 Si -
Comments: Kato, K. Die OD-Struktur von Bleisilicat Pb2 Si O4 und Bleisilicat-Germanat-Mischkristall Pb2 (Si Ge) O4 Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2539-2545
Space group: A -1
Cell volume: 3559.35
Cell parameters: 38.789; 7.567; 12.212; 90; 96.78; 90;  

COD ID: 2107118
CIF file Formula: - Cr2 Na2 O7 -
Comments: Panagiotopoulos, N.C.; Brown, I.D. The crystal structure of alpha Na Cr2 O7 and the alpha-beta phase transition Acta Crystallographica B (24,1968-38,1982) 29 (1973) 890-894
Space group: A -1
Cell volume: 658.758
Cell parameters: 7.82; 10.36; 9.54; 89.5; 110.1; 113.4;  

COD ID: 2310865
CIF file Formula: - Al2 B Ca2 Fe0.7 H Mn0.3 O16 Si4 -
Comments: Ito, T.; Takeuchi, Y. The Crystal Structure of Axinite Acta Crystallographica (1,1948-23,1967) 5 (1952) 202-208
Space group: A -1
Cell volume: 1133.49
Cell parameters: 7.15; 12.57; 13.05; 91.38; 75.5; 93.38;  

COD ID: 2311022
CIF file Formula: - Fe6 H5 K2 Mn Na O31 Si8 Ti2 -
Comments: Woodrow, P.J. The Crystal Structure of Astrophyllite Acta Crystallographica (1,1948-23,1967) 22 (1967) 673-678
Space group: A -1
Cell volume: 1288.61
Cell parameters: 5.36; 11.76; 21.07999; 85.13; 90; 103.22;  

COD ID: 4031419
CIF file Formula: - F12 Sb2 Te4 -
Comments: Cardinal, G.; Gillespie, R.J.; Vekris, J.E.; Sawyer, J.F. Charge-transfer interactions in the square-planar chalcogen cations, M4(2+), preparation and crystal structures of the compounds (Se4) (Sb2 F4) (Sb2 F5) (Sb F6), (Se4) (Al Cl4), and (Te4) (Sb F6)2 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1982 (1982) 765-779
Space group: A -1
Cell volume: 706.163
Cell parameters: 5.7; 16.252; 8.076; 100.56; 102.67; 97.47;  

COD ID: 4124110
CIF file Formula: - C14 Co6 O14 S4 -
Comments: Stevenson, D.L.; Dahl, L.F.; Magnuson, V.R. Organometallic Sulfur Complexes. IX. Structure of a Hexanuclear Cobalt Carbonyl Sulfur Complex, (S Co3 (C O)7)2 S2, Containing a Tetrametal-Coordinated Bridginq Disulfide Group Journal of the American Chemical Society 89 (1967) 3727-3732
Space group: A -1
Cell volume: 2681.43
Cell parameters: 11.78; 18; 14.9; 69.62; 86.7; 65.52;  

COD ID: 5000200
CIF file Formula: - C12 H24 O2 -
Comments: Goto, Midori; Asada, Eiichi The Crystal Structure of the A-super Form of Laurie Acid Bulletin of the Chemical Society of Japan 51(1) (1978) 70-74
Space group: A -1
Cell volume: 3829.14
Cell parameters: 5.415; 25.964; 35.183; 69.82; 113.14; 121.15;  

COD ID: 7006564
CIF file Formula: - C20.5 H26 Co N5 O5.5 -
Comments: Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T. Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies. Dalton transactions (Cambridge, England : 2003) (issue 14) (2006) 1758-1767
Space group: A -1
Cell volume: 2182
Cell parameters: 10.031; 10.612; 20.996; 94.152; 80.05; 84.45;  

COD ID: 8103604
CIF file Formula: - Ca0.228 Mn0.772 O3 Si -
Comments: Yamanaka, T.; Takeuchi, Y. X-ray study of the Rhodonite-Bustamite transformation Zeitschrift fuer Kristallographie (149,1979-) 157 (1981) 131-145
Space group: A -1
Cell volume: 710.28
Cell parameters: 7.605; 7.102; 13.568; 89.95; 94.39; 103.53;  

COD ID: 8103622
CIF file Formula: - Ca Fe O6 Si2 -
Comments: Rapoport, P.A.; Burnham, C.W. Ferrobustamite. The crystal structures of two Ca, Fe bustamite-type pyroxenoids Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 138 (1973) 419-438
Space group: A -1
Cell volume: 727.197
Cell parameters: 7.691; 7.112; 13.765; 90.367; 95.317; 103.967;  

COD ID: 8103623
CIF file Formula: - Ca0.79 Fe0.21 O3 Si -
Comments: Rapoport, P.A.; Burnham, C.W. Ferrobustamite. The crystal structures of two Ca, Fe bustamite-type pyroxenoids Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 138 (1973) 419-438
Space group: A -1
Cell volume: 763.493
Cell parameters: 7.832; 7.229; 13.925; 90.017; 95.4; 103.35;  

COD ID: 9000596
CIF file Formula: - Ca0.822 Fe0.178 O3 Si -
Comments: Yamanaka, T.; Sadanaga, R.; Takeuchi, Y. Structural variation in the ferrobustamite solid solution Wo82Fs18 American Mineralogist 62 (1977) 1216-1224
Space group: A -1
Cell volume: 770.85
Cell parameters: 7.862; 7.253; 13.967; 89.733; 95.467; 103.483;  

COD ID: 9002895
CIF file Formula: - Ca O5 Si Sn -
Comments: Rath, S.; Kunz, M.; Miletich, R. Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 5.769 GPa American Mineralogist 88 (2003) 293-300
Space group: A -1
Cell volume: 373.332
Cell parameters: 7.0252; 8.8281; 6.5318; 89.861; 112.84; 90.171;  

COD ID: 9002896
CIF file Formula: - Ca O5 Si Sn -
Comments: Rath, S.; Kunz, M.; Miletich, R. Pressure-induced phase transition in malayaite, CaSnOSiO4 Sample: at P = 7.33 GPa American Mineralogist 88 (2003) 293-300
Space group: A -1
Cell volume: 369.224
Cell parameters: 6.9948; 8.8103; 6.4976; 89.175; 112.738; 91.104;  

COD ID: 9003667
CIF file Formula: - Ca Ge O5 Ti0.222 Zr0.778 -
Comments: Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti20, triclinically distorted titanite structure American Mineralogist 90 (2005) 687-694
Space group: A -1
Cell volume: 415.981
Cell parameters: 7.35292; 9.1; 6.75633; 89.085; 113.024; 91.001;  

COD ID: 9003668
CIF file Formula: - Ca Ge O5 Ti0.114 Zr0.885 -
Comments: Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti10, triclinically distorted titanite structure American Mineralogist 90 (2005) 687-694
Space group: A -1
Cell volume: 419.499
Cell parameters: 7.38422; 9.12413; 6.76031; 88.765; 112.877; 91.297;  

COD ID: 9004405
CIF file Formula: - As10 Fe4 O22 Pb -
Comments: Cooper, M. A.; Hawthorne, F. C. The crystal structure of ludlockite, PbFe4As10O22, the mineral with pentameric arsenite groups and orange hair The Canadian Mineralogist 34 (1996) 79-89
Space group: A -1
Cell volume: 2222.26
Cell parameters: 10.426; 12.074; 18.349; 101.84; 100.21; 90.6;  

COD ID: 9009724
CIF file Formula: - Ca6 H2 O19 Si6 -
Comments: Kudoh, Y.; Takeuchi, Y. Polytypism in xonotlite: (I) Structure of an A-1 polytype Mineralogical Journal 9 (1979) 349-373
Space group: A -1
Cell volume: 879.259
Cell parameters: 8.712; 7.363; 14.023; 89.99; 90.36; 102.18;  

COD ID: 9011067
CIF file Formula: - Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 -
Comments: Woodrow, P. J. The crystal structure of astrophyllite Acta Crystallographica 22 (1967) 673-678
Space group: A -1
Cell volume: 1288.61
Cell parameters: 5.36; 11.76; 21.07999; 85.13; 90; 103.22;  

COD ID: 9013948
CIF file Formula: - Br0.81 Cl1.19 Hg11 I2 O4 -
Comments: Cooper, M. A.; Hawthorne, F. C. The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the Clear Creek Claim, San Benito County, California Mineralogical Magazine 73 (2009) 227-234
Space group: A -1
Cell volume: 926.998
Cell parameters: 7.0147; 11.8508; 12.5985; 115.583; 82.575; 100.619;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!