Crystallography Open Database
Search results
Result: there are 182 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 31
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000039 | CIF | Al6 Ca9 O18 | P a -3 | 15.263; 15.263; 15.263 90; 90; 90 | 3555.7 | Mondal, P; Jeffery, J W The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 689-697 |
1001022 | CIF | La2 O7 Ti2 | P 1 1 21 | 7.8; 13.011; 5.546 90; 90; 98.6 | 556.5 | Gasperin, M Dititanate de lanthane Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2129-2130 |
1001624 | CIF | As2 Cd4 I3 | P a -3 | 12.993; 12.993; 12.993 90; 90; 90 | 2193.5 | Gallay, J; Allais, G; Deschanvres, A Structure de Cd4 As2 I3 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2274-2276 |
1007025 | CIF | H6 K O10.5 P2 Zn2 | P -1 | 9.109; 13.543; 8.814 102.21; 113.35; 95.92 | 954.3 | Tordjman, I; Durif, A; Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du monophosphate de zinc-potassium: Zn~2~ K H (P O~4~)~2~ (H~2~ O)~2.5~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1143-1148 |
1007026 | CIF | Ag3 H2 O10 P3 | P -1 | 7.8; 7.796; 9.276 115.15; 115.15; 88.93 | 453.1 | Bagieu-Beucher, M; Durif, A; Guitel, J C Structure cristalline du trimetaphosphate d'argent monohydrate, Ag~3~ P~3~ O~9~ H~2~ O Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2264-2267 |
1007027 | CIF | Ba2 H20 O28 P6 Zn | C 1 2/c 1 | 26.52; 7.625; 12.92 90; 100.93; 90 | 2565.2 | Durif, A; Averbuch-Pouchot, M T; Guitel, J C Structure cristalline du trimetaphosphate de baryum-zinc decahydrate Ba~2~ Zn (P~3~ O~9~)~2~ (H~2~ O)~10~ Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2680-2682 |
1007251 | CIF | Ba Cd O12 P4 | P 1 21/n 1 | 14.94; 9.192; 7.219 90; 90.79; 90 | 991.3 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du polyphophate de cadmium-baryum: Cd Ba (P O3)4 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2453-2456 |
1007252 | CIF | H34 O37 P6 Zn5 | P -1 | 10.766; 10.316; 8.525 111.39; 115.08; 70.19 | 779.2 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Structure cristalline du tripolyphosphate de zinc heptadecahydrate: Zn5 (P3 O10)2 (H2 O)17 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2482-2486 |
1008000 | CIF | F6 Mo | P n m a | 9.559; 8.668; 5.015 90; 90; 90 | 415.5 | Levy, J H; Taylor, J C; Wilson, P W Structures of fluorides. IX. The orthorhombic form of molybdenum hexafluoride Acta Crystallographica B (24,1968-38,1982), 1975, 31, 398-401 |
1008021 | CIF | I3 U | C c m m | 14.011; 4.328; 10.005 90; 90; 90 | 606.7 | Levy, J H; Taylor, J C; Wilson, P W The structure of uranium(III) triiodide by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1975, 31, 880-882 |
1008022 | CIF | F6 Mo | I 4 3 2 | 6.221; 6.221; 6.221 90; 90; 90 | 240.8 | Levy, J H; Sanger, P L; Taylor, J C; Wilson, P W The structures of fluorides. XI. Cubic harmonic analysis of the neutron diffraction pattern of the body-centred cubic phase of Mo F~6~ at 266 K Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1065-1067 |
1100069 | CIF | H12 Mg O12 S2 | P -1 | 6.819; 6.747; 6.506 94.23; 96.76; 101.72 | 289.6 | Black, W H; Griffith, E A H; Robertson, B E M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 615-617 |
2105342 | CIF | Ag I | P 63 m c | 4.5979; 4.5979; 15.029 90; 90; 120 | 275.156 | Schock, R.N.; Johnson, Q. The 4h polytype of silver iodide Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1482-1483 |
2105343 | CIF | Ag I3 K2 | P n m a | 10.01; 4.78; 19.32 90; 90; 90 | 924.419 | Thackeray, M.M.; Coetzer, J. Dipotassium silver triiodide Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2339-2340 |
2105369 | CIF | Ag4 N2 O6 Te | P a -3 | 8.173; 8.173; 8.173 90; 90; 90 | 545.939 | Schultze-Rhonhof, E. Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2837-2840 |
2105406 | CIF | B2 Ca F8 | P b c a | 9.2792; 8.9103; 13.3719 90; 90; 90 | 1105.59 | Brown, W.E.; Schroeder, L.W.; Jordan, T.H.; Dickens, B. The crystal structure of Ca (B F4)2 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 669-672 |
2105421 | CIF | B0.996 Na0.209 O26 P6 Sr9.402 | P -3 | 9.734; 9.734; 7.279 90; 90; 120 | 597.29 | Calvo, C.; Faggiani, R.; Krishnamachari, N. The crystal structure of sodium strontium boron dioxide hexaphosphate - a deviant apatite Acta Crystallographica B (24,1968-38,1982), 1975, 31, 188-192 |
2105426 | CIF | B50 Ti1.87 | P 42/n n m :1 | 8.83; 8.83; 5.072 90; 90; 90 | 395.458 | Amberger, E.; Polbov, K. Struktur des tetragonalen (B12)4 B2 Ti1.3...2.0 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 949-953 |
2106114 | CIF | C1.33 Mn7.53 Si1.8 | P -1 | 6.4492; 6.5187; 9.944 84.709; 99.588; 119.979 | 357.04 | Spinat, P.; Brouty, C.; Whuler, A.; Herpin, P. Etude structurale de la phase Mn8 Si2 C Acta Crystallographica B (24,1968-38,1982), 1975, 31, 541-547 |
2106268 | CIF | Ga2 O8 Si2 Sr | I 1 2/c 1 | 8.481; 13.142; 14.444 90; 115.48; 90 | 1453.3 | Calleri, M.; Gazzoni, G. Structures of (Sr, Ba) ((Al, Ga)2 (Si, Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
2106269 | CIF | Ba Ga2 O8 Si2 | I 1 2/c 1 | 8.727; 13.24; 14.608 90; 115; 90 | 1529.75 | Calleri, M.; Gazzoni, G. Structures of (Sr,Ba)((Al,Ga)2 (Si,Ge)2 O8). I. The crystal structures of the synthetic feldspars Sr Ga2 Si2 O8 and Ba Ga2 Si2 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 560-568 |
2106328 | CIF | Ca2 Sb | I 4 m m | 4.69; 4.69; 16.39 90; 90; 90 | 360.516 | Hamon, C.; Marchand, R.; Laurent, Y.; l'Haridon, P. Etude structurale de Ca2 Sb Acta Crystallographica B (24,1968-38,1982), 1975, 31, 427-430 |
2106343 | CIF | Al8.02 Fe6 H8 Li7.28 Mg6.96 Na0.08 O96 Si31.42 | P n m a | 18.28999; 17.67; 5.28 90; 90; 90 | 1706.41 | Irusteta, M.C.; Whittaker, E.J.W. A three-dimensional refinement of the structure of holmquistite Acta Crystallographica B (24,1968-38,1982), 1975, 31, 145-150 |
2106366 | CIF | I O7 Sb5 | P 1 21/c 1 | 6.772; 12.726; 13.392 90; 120.1; 90 | 998.496 | Kraemer, V. The crystal structure of ferroelastic antimony(III) oxide iodide alpha Sb5 O7 I Acta Crystallographica B (24,1968-38,1982), 1975, 31, 234-237 |
2106386 | CIF | K4 O4 Sn | P -1 | 6.48; 6.51; 9.7 71.82; 99.89; 113.13 | 356.948 | Marchand, R.; Piffard, Y.; Tournoux, M. Structure cristalline de l'orthostannate de potassium K4 Sn O4 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 511-514 |
2106394 | CIF | C Ca O3 | P 1 21/c 1 | 6.334; 4.948; 8.033 90; 107.9; 90 | 239.573 | Merrill, L.; Bassett, W.A. Crystal structure of Ca C O3(II), a high-pressure metastable phase calcium carbonate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 343-349 |
2106398 | CIF | C2 N2 Pb S2 | C 1 2/c 1 | 9.661; 6.544; 8.253 90; 92.37; 90 | 521.321 | Mokuolu, J.A.A.; Speakman, J.C. The crystal structure of lead(II) thiocyanate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 172-176 |
2106434 | CIF | Ca H6 O9 P2 | P -1 | 5.6261; 11.889; 6.473 98.633; 118.2; 83.344 | 376.752 | Schroeder, L.W.; Prince, E.; Dickens, B. Hydrogen bonding in Ca (H2 P O4)2 (H2 O) as determined by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1975, 31, 9-12 |
2106463 | CIF | Ga40.392 Mo7.396 | R -3 :H | 14.04; 14.04; 15.05 90; 90; 120 | 2569.22 | Yvon, K. Mo8 Ga41 another example of ten-coordination of the transition element Acta Crystallographica B (24,1968-38,1982), 1975, 31, 117-120 |
2106477 | CIF | C8 H8 K4 O20 Th | P -1 | 9.562; 13.087; 10.387 115.75; 80.9; 112.66 | 1080.3 | Akhtar, M.N.; Smith, A.J. The crystal structure of tetrapotassium tetraoxalatothorium(IV) tetrahydrate, K4 Th (C2 O4)4 (H2 O)4 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1361-1366 |
2106484 | CIF | C2 H20 Cu N8 O8 S3 | P 1 21/c 1 | 13.43; 8.34; 17.07 90; 122.8; 90 | 1607.12 | Bigoli, F.; Pellinghelli, M.A.; Tiripicchio Camellini, M.; Tiripicchio, A. The crystal and molecular structure of sulfatobis(thiocarbonohydrazide- N,S) copper(II) tetrahydrate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 55-59 |
2106485 | CIF | H6 Ni O12 S2 | P -1 | 6.751; 6.699; 6.451 94.53; 96.3; 101.28 | 282.869 | Black, W.H.; Griffith, E.A.H.; Robertson, B.E. M S2 O6 (H2 O)6 (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 615-617 |
2106486 | CIF | H12 O12 S2 Zn | P -1 | 6.799; 6.752; 6.491 94.58; 96.2; 101.47 | 288.748 | Black, W.H.; Griffith, E.A.H.; Robertson, B.E. M S2 O6 (H2 O)6 (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 615-617 |
2106488 | CIF | Cu20 Sn6 | P 63 | 7.33; 7.33; 7.864 90; 90; 120 | 365.917 | Brandon, J.K.; Pearson, W.B.; Tozer, D.J.N. A single-crystal X-ray diffraction of the zeta bronze structure, Cu20 Sn6 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 774-779 |
2106490 | CIF | Br3 O Pa | C 1 2/m 1 | 16.911; 3.871; 9.334 90; 113.67; 90 | 559.623 | Brown, D.; Petcher, T.J.; Smith, A.J. The Crystal Structure of Protactinium oxytribromide Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1382-1385 |
2106491 | CIF | C6 H8 Ca Co K O10 S6 | P 21 21 21 | 12.381; 12.791; 11.801 90; 90; 90 | 1868.87 | Butler, K. R.; Snow, M. R. The crystal structure of calcium potassium(+)589-tris(dithiooxalato)cob altate(III) tetrahydrate: an application of anomalous dispersion patterson methods Acta Crystallographica B (24,1968-38,1982), 1975, 31, 354-358 |
2106493 | CIF | Na O5 V2 | P 21 m n | 11.318; 3.611; 4.797 90; 90; 90 | 196.05 | Carpy, A.; Galy, J. Affinement de la structure cristalline du bronze Na V2 O5 alpha' Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1481-1482 |
2106497 | CIF | H3 N O4 | P 21 c n | 5.4647; 8.6439; 6.2308 90; 90; 90 | 294.32 | Delaplane, R.G.; Taesler, I.; Olovsson, I. Hydrogen bond studies. XCIII. Oxonium ion in nitric acid monohydrate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1486-1489 |
2106500 | CIF | C4 H6 Co K2 N4 O3 S4 | P 21 21 2 | 11.116; 12.981; 5.354 90; 90; 90 | 772.565 | Drew, M.G.B.; Othman, A.H. Potassium tetrakis(isothiocyanato)cobaltate(II) trihydrate; a redetermination Acta Crystallographica B (24,1968-38,1982), 1975, 31, 613-614 |
2106505 | CIF | Cu51 Hf14 | P 6/m | 11.18; 11.18; 8.235 90; 90; 120 | 891.411 | Gabathuler, J.P.; Parthe, E.; White, P. Zr14 Cu51 and Hf14 Cu51 with Gd Ag3.6 structure type Acta Crystallographica B (24,1968-38,1982), 1975, 31, 608-610 |
2106508 | CIF | Cs2 Mo5 O16 | C 1 2/c 1 | 21.44; 5.559; 14.338 90; 122.74; 90 | 1437.39 | Gatehouse, B.M.; Miskin, B.K. The crystal structures of cesium pentamolybdate, Cs2 Mo5 O16, and cesium heptamolybdate, Cs2 Mo7 O22 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1293-1299 |
2106509 | CIF | Cs2 Mo7 O22 | C 1 2/c 1 | 21.54; 5.537; 18.91 90; 122.71; 90 | 1897.68 | Gatehouse, B.M.; Miskin, B.K. The crystal structures of cesium pentamolybdate, Cs2 Mo5 O16, and cesium heptamolybdate, Cs2 Mo7 O22 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1293-1299 |
2106510 | CIF | Fe2 O5 Sr2 | I c m m | 5.6727; 15.582; 5.5303 90; 90; 90 | 488.834 | Greaves, C.; Jacobson, A.J.; Tofield, B.C.; Fender, B.E.F. A powder neutron diffraction investigation of the nuclear and magnetic structure of Sr2 Fe2 O5 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 641-646 |
2106511 | CIF | Ba5 Fe9 S18 | P 4/n c c :2 | 7.776; 7.776; 49.86 90; 90; 90 | 3014.84 | Grey, I.E. The structure of Ba5 Fe9 S18 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 45-48 |
2106513 | CIF | Cl2 Eu H4 O2 | C 1 2/c 1 | 11.661; 6.404; 6.694 90; 105.37; 90 | 482.009 | Haase, A.; Brauer, G. Europium dichloride dihydrate Acta Crystallographica B (24,1968-38,1982), 1975, 31, 290-292 |
2106514 | CIF | As16 Ca11.44 Si9.04 | P 1 21/m 1 | 7.134; 17.651; 7.267 90; 111.74; 90 | 849.991 | Hamon, M.; l'Haridon, P.; Guyader, J.; Laurent, Y. Etude d'arseniures et phosphures doubles. Structure de Ca10+x Si12-2x As16 (et P16) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 445-449 |
2106515 | CIF | Al3.92 Fe1.81 H4 Mg0.27 O14 Si2 | C 1 2/c 1 | 9.4818; 5.4842; 18.182 90; 101.738; 90 | 925.694 | Hanscom, R.H. Refinement of the crystal structure of monoclinic choritoid Acta Crystallographica B (24,1968-38,1982), 1975, 31, 780-784 |
2106516 | CIF | C2 H6 Cu Na2 O9 | P 1 21/c 1 | 9.691; 6.091; 17.111 90; 126.4; 90 | 812.964 | Harlow, R.L.; Simonsen, S.H. An independant investigation of the crystal structure of Na2 Cu (C O3)2 (H2 O)3 with diffractiometer data Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1313-1318 |
2106518 | CIF | Ba Fe4 O8 Sr | P -3 1 m | 5.45; 5.45; 8.101 90; 90; 120 | 208.383 | Herman-Ronzaud, D.; Bachmann, M. La structure cristalline de Ba Sr Fe4 O8 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 665-668 |
2106519 | CIF | Bi6 Cl3 F O7 | P n m a | 20.105; 3.892; 15.432 90; 90; 90 | 1207.53 | Hopfgarten, F. The Crystal Structure of Bi6 O7 F Cl3 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1087-1092 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!