Crystallography Open Database
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Searching journal of publication like 'Journal of applied crystallography'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2300085 | CIF | C Fe3 | P n m a | 5.08104; 6.7689; 4.52139 90; 90; 90 | 155.504 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300086 | CIF | C Fe3 | P n m a | 5.08233; 6.7704; 4.52219 90; 90; 90 | 155.606 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300087 | CIF | C Fe3 | P n m a | 5.08326; 6.7732; 4.52326 90; 90; 90 | 155.736 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300088 | CIF | C Fe3 | P n m a | 5.08468; 6.7749; 4.52433 90; 90; 90 | 155.855 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300089 | CIF | C Fe3 | P n m a | 5.08644; 6.7772; 4.52559 90; 90; 90 | 156.005 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300090 | CIF | C Fe3 | P n m a | 5.08801; 6.7791; 4.52694 90; 90; 90 | 156.144 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300091 | CIF | C Fe3 | P n m a | 5.0899; 6.781; 4.52797 90; 90; 90 | 156.281 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300092 | CIF | Al Ca O5 Ta | P 1 21/n 1 | 6.6298; 8.9515; 7.3502 90; 113.792; 90 | 399.139 | Malcherek, Thomas; Borowski, Markus; Bosenick, Anne Structure and phase transitions of CaTaOAlO~4~ Journal of Applied Crystallography, 2004, 37, 117-122 |
| 2300093 | CIF | C20 H30 Cl2 Fe N6 O | P 1 21/c 1 | 10.8041; 21.6945; 11.395 90; 117.33; 90 | 2372.7 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300094 | CIF | C20 H30 Cl2 Fe N6 O | P 1 21/c 1 | 10.7098; 21.5711; 11.356 90; 116.62; 90 | 2345.4 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300095 | CIF | C20 H30 Cl2 Fe N6 O | P 1 21/c 1 | 10.9348; 21.9329; 11.484 90; 117.59; 90 | 2441 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300096 | CIF | C20 H30 Cl2 Fe N6 O | P 1 21/c 1 | 10.7322; 21.5055; 11.323 90; 117.184; 90 | 2324.7 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300097 | CIF | C40 H60 Cl4 Fe2 N12 O2 | P 1 21/n 1 | 21.608; 21.6945; 11.395 90; 117.33; 90 | 4745 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300098 | CIF | C20 H30 Cl2 Fe N6 O | P 1 21/c 1 | 10.949; 21.825; 11.37 90; 118.85; 90 | 2379.8 | Kusz, Joachim; Schollmeyer, Dieter; Spiering, Hartmunt; Gütlich, Philipp The LIESST state of [Fe(pic)~3~]Cl~2~.EtOH ‒ the superstructure under continuous irradiation Journal of Applied Crystallography, 2005, 38, 528-536 |
| 2300099 | CIF | K O8 W2 Yb | C 1 2/c 1 | 10.59; 10.29; 7.478 90; 130.7; 90 | 617.8 | M.C. Pujol; X. Mateos; R. Solé; J. Massons; Jna. Gavaldà; X. Solans; F. Diaz; M. Aguiló Structure, crystal growth and physical anisotropy of KYb(WO~4~)~2~, a new laser matrix Journal of Applied Crystallography, 2002, 35, 108-112 |
| 2300100 | CIF | C7 H9 N | P 1 21/c 1 | 24.8727; 5.80729; 8.7615 90; 100.062; 90 | 1246.07 | Lefebvre, Jacques; Descamps, Marc; Hemon, Stephanie; Dzyabchenko, Alexander Ab initio structure determination of meta-toluidine by powder X-ray diffraction Journal of Applied Crystallography, 2004, 37, 464-471 |
| 2300101 | CIF | Al2 Eu0.136 O4 Sr0.864 | P 63 2 2 | 5.11635; 5.11635; 8.3673 90; 90; 120 | 189.687 | Chao-Nan, Xu; Wen-Sheng Shi Observation of orientational disorder in the hexagonal stuffed tridymite Sr~0.864~Eu~0.136~Al~2~O~4~ by the maximum-entropy method Journal of Applied Crystallography, 2004, 37, 698-702 |
| 2300102 | CIF | C18 H15 O3 P | R -3 :H | 37.766; 37.766; 5.7286 90; 90; 120 | 7075.9 | Hernandez, Olivier; Hédoux, Alain; Lefebvre, Jacques; Guinet, Yannick; Descamps, Marc; Papoular, Robert; Masson, Olivier <i>Ab</i> <i>initio</i> structure determination of triphenyl phosphite by powder synchrotron X-ray diffraction Journal of Applied Crystallography, 2002, 35, 212-219 |
| 2300103 | CIF | C18 H22 Cu N8 O6 S2 | P 1 21/n 1 | 20.695; 8.054; 15.157 90; 112.09; 90 | 2340.9 | García-Cuesta, M. C.; Lozano, A. M.; Meléndez-Martínez, J. J.; Luna-Giles, F.; Ortiz, A. L.; González-Méndez, L. M.; Cumbrera, F. L. Structure determination of nitrato-κ<i>O</i>-bis[2-(2-pyridyl-κ<i>N</i>)amino-5,6-dihydro-4<i>H</i>-1,3-thiazine-κ<i>N</i>]copper(II) nitrate <i>via</i> molecular modelling coupled with X-ray powder diffractometry Journal of Applied Crystallography, 2004, 37, 993-999 |
| 2300110 | CIF Paper | ? | P 6/m m m | 30.960745; 30.960745; 7.519782 90; 90; 120 | 6242.5 | Foster, M. D.; Treacy, M. M. J.; Higgins, J. B.; Rivin, I.; Balkovsky, E.; Randall, K. H. A systematic topological search for the framework of ZSM-10 Journal of Applied Crystallography, 2005, 38, 1028-1030 |
| 2300111 | CIF | In2 Mn0.4 S4 Zn0.6 | R 3 m :H | 3.875218; 3.875218; 37.20846 90; 90; 120 | 483.91 | Ávila-Godoy, Rosario; Mora, Asiloé J.; Acosta-Najarro, Dwight R.; Delgado, Gerzon E.; López-Rivera, Santos A.; Fitch, Andrew N.; Mora, Andrés E.; Steeds, John W. Structure of the quaternary alloy Zn~0.6~Mn~0.4~In~2~S~4~ from synchrotron powder diffraction and electron transmission microscopy Journal of Applied Crystallography, 2006, 39, 1-5 |
| 2300112 | CIF Paper | O Zn | P 63 m c | 3.2494; 3.2494; 5.2054 90; 90; 120 | 47.598 | Sowa, Heidrun; Ahsbahs, Hans High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape Journal of Applied Crystallography, 2006, 39, 169-175 |
| 2300113 | CIF Paper | O Zn | P 63 m c | 3.2342; 3.2342; 5.1772 90; 90; 120 | 46.899 | Sowa, Heidrun; Ahsbahs, Hans High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape Journal of Applied Crystallography, 2006, 39, 169-175 |
| 2300114 | CIF Paper | O Zn | P 63 m c | 3.219; 3.219; 5.1489 90; 90; 120 | 46.205 | Sowa, Heidrun; Ahsbahs, Hans High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape Journal of Applied Crystallography, 2006, 39, 169-175 |
| 2300115 | CIF Paper | O Zn | P 63 m c | 3.2049; 3.2049; 5.1216 90; 90; 120 | 45.558 | Sowa, Heidrun; Ahsbahs, Hans High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape Journal of Applied Crystallography, 2006, 39, 169-175 |
| 2300116 | CIF Paper | O Zn | P 63 m c | 3.195; 3.195; 5.1027 90; 90; 120 | 45.11 | Sowa, Heidrun; Ahsbahs, Hans High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape Journal of Applied Crystallography, 2006, 39, 169-175 |
| 2300117 | CIF Paper | K Lu O8 W2 | C 1 2/c 1 | 10.576; 10.214; 7.487 90; 130.68; 90 | 613.3 | Pujol, M. C.; Mateos, X.; Aznar, A.; Solans, X.; Suriñach, S.; Massons, J.; Díaz, F.; Aguiló, M. Structural redetermination, thermal expansion and refractive indices of KLu(WO~4~)~2~ Journal of Applied Crystallography, 2006, 39, 230-236 |
| 2300118 | CIF Paper | C H5 Cl Mg2 O6 | R 3 c :H | 23.14422; 23.14422; 7.22333 90; 90; 120 | 3350.84 | Sugimoto, Kunihisa; Dinnebier, Robert E.; Schlecht, Thomas Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Journal of Applied Crystallography, 2006, 39, 739-744 |
| 2300119 | CIF Paper | ? | P 21 21 21 | 6.88; 11.91; 18.6 90; 90; 90 | 1524.1 | Immirzi, Attilio; Alfano, Davide; Tedesco, Consiglia New solutions to the problems of chain orientation and chain continuity in structure analysis of fibrous polymers. A reconsideration of the structure of polyisobutene Journal of Applied Crystallography, 2007, 40, 10-15 |
| 2300120 | CIF HKL Paper | C24 H22 Fe2 N12 S8 | P -1 | 8.446; 9.123; 11.779 72.26; 80.94; 67.33 | 796.8 | Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches Journal of Applied Crystallography, 2007, 40, 158-164 |
| 2300121 | CIF HKL Paper | C24 H22 Fe2 N12 S8 | P -1 | 8.6103; 9.2628; 11.9305 72.903; 80.057; 66.911 | 834.84 | Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches Journal of Applied Crystallography, 2007, 40, 158-164 |
| 2300122 | CIF HKL Paper | C24 H22 Fe2 N12 S8 | P -1 | 8.727; 9.385; 12.041 73.04; 79.43; 66.6 | 863.1 | Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches Journal of Applied Crystallography, 2007, 40, 158-164 |
| 2300123 | CIF HKL Paper | C24 H22 Fe2 N12 S8 | P -1 | 8.581; 9.196; 11.948 73.34; 80.53; 67.24 | 831.4 | Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches Journal of Applied Crystallography, 2007, 40, 158-164 |
| 2300124 | CIF HKL Paper | C24 H22 Fe2 N12 S8 | P -1 | 8.642; 9.224; 12.05 73.63; 80.29; 67.25 | 848 | Trzop, Elzbieta; Buron-Le Cointe, Marylise; Cailleau, Hervé; Toupet, Loïc; Molnar, Gabor; Bousseksou, Azzedine; Gaspar, Ana B.; Real, José Antonio; Collet, Eric Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)~2~]~2~(bpym)}: toward controlled multi-stepped molecular switches Journal of Applied Crystallography, 2007, 40, 158-164 |
| 2300125 | CIF HKL | C20 H17 F O3 S | P 1 21/c 1 | 12.68581; 8.18939; 17.7934 90; 106.011; 90 | 1776.83 | Llinàs, Antonio; Box, Karl J.; Burley, Jonathan C.; Glen, Robert C.; Goodman, Jonathan M. A new method for the reproducible generation of polymorphs: two forms of sulindac with very different solubilities Journal of Applied Crystallography, 2007, 40, 379-381 |
| 2300126 | CIF HKL Paper | C20 H14 N2 O | I 41/a :2 | 21.5111; 21.5111; 13.2377 90; 90; 90 | 6125.4 | Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline Journal of Applied Crystallography, 2007, 40, 471-475 |
| 2300127 | CIF HKL Paper | C20 H14 N2 O | P 1 21/n 1 | 10.724; 8.9019; 16.1894 90; 102.039; 90 | 1511.51 | Zeng, He-Ping; Wang, Ting-Ting; Xu, Dan-Feng; Cai, Yue-Peng; Chen, Dong-Feng Synthesis, crystal structure and biological activity of 2-[2-(quinolin-2-yl)vinyl]-8-hydroxyquinoline and 2-[2-(quinolin-4-yl)vinyl]-8-hydroxyquinoline Journal of Applied Crystallography, 2007, 40, 471-475 |
| 2300128 | CIF Paper | Mg O4 S | C m c m | 5.174713; 7.87563; 6.49517 90; 90; 90 | 264.705 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S. Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction Journal of Applied Crystallography, 2007, 40, 761-770 |
| 2300129 | CIF Paper | Mg O4 S | C m c m | 5.168629; 7.86781; 6.46674 90; 90; 90 | 262.975 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S. Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction Journal of Applied Crystallography, 2007, 40, 761-770 |
| 2300130 | CIF Paper | Mg O4 S | P b n m | 4.74599; 8.5831; 6.70934 90; 90; 90 | 273.307 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S. Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction Journal of Applied Crystallography, 2007, 40, 761-770 |
| 2300131 | CIF Paper | Mg O4 S | P b n m | 4.73431; 8.58171; 6.67266 90; 90; 90 | 271.1 | Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Brand, H. E. A.; Knight, K. S. Crystal structures and thermal expansion of α-MgSO~4~ and β-MgSO~4~ from 4.2 to 300K by neutron powder diffraction Journal of Applied Crystallography, 2007, 40, 761-770 |
| 2300132 | CIF Paper | C40 H48 O8 | P 41 21 2 | 6.8558; 6.8558; 16.9375 90; 90; 90 | 796.096 | Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J. Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data Journal of Applied Crystallography, 2007, 40, 702-709 |
| 2300133 | CIF Paper | C34 H48 O8 | C 1 2/c 1 | 7.3803; 10.382; 9.7508 90; 95.359; 90 | 743.863 | Brunelli, Michela; Neumann, Marcus A.; Fitch, Andrew N.; Mora, Asiloé J. Temperature phase changes in solid bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-3,7-dione from powder X-ray diffraction data Journal of Applied Crystallography, 2007, 40, 702-709 |
| 2300134 | CIF Paper | ? | P -3 m 1 | 5.7523; 5.7523; 7.0634 90; 90; 120 | 202.408 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300135 | CIF | ? | P m -3 m | 4.07307; 4.07307; 4.07307 90; 90; 90 | 67.572 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300136 | CIF | ? | P -3 m 1 | 5.7657; 5.7657; 7.0444 90; 90; 120 | 202.81 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300137 | CIF | ? | P m -3 m | 4.07013; 4.07013; 4.07013 90; 90; 90 | 67.426 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300138 | CIF | ? | P -3 m 1 | 5.7532; 5.7532; 7.0641 90; 90; 120 | 202.491 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300139 | CIF | ? | P m -3 m | 4.07348; 4.07348; 4.07348 90; 90; 90 | 67.592 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
| 2300140 | CIF | ? | P -3 m 1 | 5.7675; 5.7675; 7.0567 90; 90; 120 | 203.29 | Cernik, R. J.; Barwick, M.; Azough, F.; Freer, R. A synchrotron X-ray study of structural ordering in~the microwave dielectric ceramic system: Ba(Ni~1/3~Nb~2/3~)O~3~‒Ba(Zn~1/3~Nb~2/3~)O~3~ Journal of Applied Crystallography, 2007, 40, 749-755 |
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