Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1500042 | CIF | Fe0.5 La1.75 Li0.75 O3.92 | I 4/m m m | 3.765; 3.765; 12.918 90; 90; 90 | 183.12 | Abbattista, F; Mazza, D; Vallino, M New Phase with K2 Ni F4 Structure in the La-Li-Fe-O System Materials Research Bulletin, 1985, 20, 393-398 |
| 1500043 | CIF | Al0.5 La2 Li0.5 O4 | I 4/m m m | 3.772; 3.772; 12.757 90; 90; 90 | 181.51 | Abbattista, F; Mazza, D; Vallino, M Preparation and characterization of La2 Li.5 Al.5 O4 with K2 Ni F4 structure Inorganica Chimica Acta, 1987, 140, 147-149 |
| 1500044 | CIF | Fe6 La24 Li22 O56 | P 4/m b m | 13.24; 13.24; 7.497 90; 90; 90 | 1314.2 | Abbattista, F; Mazza, D; Vallino, M; Gazzano, M A new structure in the La-Li-Fe-O system Journal of the Less-Common Metals, 1988, 142, 203-211 |
| 1500045 | CIF | C14 H10 Br2 N2 O7 Ru | P 1 21/c 1 | 6.5744; 19.604; 13.4362 90; 92.7382; 90 | 1729.74 | Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics, 2001, 3, 1992 |
| 1500046 | CIF | C40 H52 Ag2 F6 N O7 P S4 | C 1 2 1 | 23.8522; 7.531; 14.0178 90; 106.009; 90 | 2420.4 | Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure The Analyst, 2001, 126, 1773 |
| 1501458 | CIF | C32 H26 K N2 O4 S4 | P 1 21/n 1 | 12.307; 13.672; 20.575 90; 92.356; 90 | 3459 | Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) Inorganic Chemistry, 2002, 41, 3755-3760 |
| 1501459 | CIF | C28.75 H22 Li N0.5 O4.25 S4 | C 1 2/c 1 | 24.5766; 13.2758; 19.9983 90; 108.426; 90 | 6190.4 | Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) Inorganic Chemistry, 2002, 41, 3755-3760 |
| 1501460 | CIF | C30 H23 N Na O4 S4 | P 1 21/c 1 | 10.5774; 21.9723; 14.4196 90; 110.121; 90 | 3146.7 | Theivanayagam C. Deivaraj; Wei Hoon Lye; Jagadese J. Vittal New Metalloligands [M(SC{O}Ph)4]-: Synthesis and Characterization of Polymeric [A(MeCN)x{M(SC{O}Ph)4}] Compounds (A = Li, Na and K; M = Ga and In; x= 0-2) Inorganic Chemistry, 2002, 41, 3755-3760 |
| 1501461 | CIF | Fe2 K0.8 Se1.96 | I 4/m m m | 3.9092; 3.9092; 14.1353 90; 90; 90 | 216.013 | Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K. Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K Journal of Physics: Condensed Matter, 2011, 23, 1-4 |
| 1501462 | CIF | Cs0.8 Fe2 Se1.96 | I 4/m m m | 3.9601; 3.9601; 15.2846 90; 90; 90 | 239.699 | Krzton-Maziopa, A.; Shermadini, Z.; Pomjakushina, E.; Pomjakushina, V.; Bendele, M.; Amato, A.; Khasanov, R.; Luetkens, H.; Conder, K. Synthesis and crystal growth of Cs0.8(FeSe0.98)2: a new iron-based superconductor with Tc=27K Journal of Physics: Condensed Matter, 2011, 23, 1-4 |
| 1501463 | CIF | Fe7 Mo6 | R -3 m :H | 4.7402; 4.7402; 26.0028 90; 90; 120 | 505.992 | Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system Physical Review B, 2011, 83, 184201 |
| 1501464 | CIF | Fe2 Mo | P 63/m m c | 4.6594; 4.6594; 7.7433 90; 90; 120 | 145.585 | Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system Physical Review B, 2011, 83, 184201 |
| 1501465 | CIF | Tc2 Y | P 63/m m c | 5.373; 5.373; 8.847 90; 90; 120 | 221.187 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
| 1501466 | CIF | Tc2 Zr | P 63/m m c | 5.2185; 5.2185; 8.6527 90; 90; 120 | 204.067 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
| 1501467 | CIF | K O4 Tc | I 41/a :2 | 5.63; 5.63; 12.867 90; 90; 90 | 407.844 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
| 1501468 | CIF | O4 Rb Tc | I 41/a :2 | 5.758; 5.758; 13.54 90; 90; 90 | 448.913 | Errico, Leonardo; Darriba, German; Renteria, Mario; Zhengning, Tang; Emmerich, Heike; Cottenier, Stefaan Nuclear quadrupole moment of the 99Tc ground state Physical Review B, 2008, 77, 195118 |
| 1501469 | CIF HKL | C11 H16 Cu N4 O10 | P 1 21/c 1 | 11.432; 6.927; 21.289 90; 106.54; 90 | 1616.1 | Carmen Enrique; Miguel Quirós; Juan M. Salas; Antonio García; José Daniel Martín 5(2'Carboxy)phenylazo barbiturate diaqua copper(II) trihydrate: Characterization and crystal structure Journal of Crystallographic and Spectroscopic Research, 1993, 23, 407-410 |
| 1501470 | CIF | Li2 O7 Si3 | P m c a | 19.648; 5.9969; 4.8691 90; 90; 90 | 573.71 | Krüger, Hannes; Kahlenberg, Volker; Kaindl, R. Li2Si3O7: Crystal structure and Raman Spectroscopy Journal of Solid State Chemistry, 2007, 180, 936-942 |
| 1501471 | CIF | C45 H35 Cd Cl N4 O7 | P 1 21/n 1 | 11.4616; 16.3861; 20.877 90; 95.0205; 90 | 3905.89 | Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications, 2011, 47, 10431-10433 |
| 1501472 | CIF | C45 H35 Cl Hg N4 O7 | P 1 21/n 1 | 11.4117; 16.3761; 20.9794 90; 95.007; 90 | 3905.65 | Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications, 2011, 47, 10431-10433 |
| 1501473 | CIF | C45 H35 F3 N4 O7 S Zn | P 1 21/c 1 | 10.1785; 16.3337; 24.162 90; 91.037; 90 | 4016.34 | Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications, 2011, 47, 10431-10433 |
| 1501474 | CIF | C46 H38 Cd Cl N5 O8 | P -1 | 13.2066; 13.243; 14.306 102.54; 116.809; 99.7178 | 2075.18 | Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes Chemical Communications, 2011, 47, 10431-10433 |
| 1501475 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 1 m 1 | 4.0055; 3.9897; 4.0426 90; 90.19; 90 | 64.6 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501476 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 3.996; 3.996; 4.0492 90; 90; 90 | 64.658 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501477 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 3.9948; 3.9948; 4.0513 90; 90; 90 | 64.652 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501478 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 3.9938; 3.9938; 4.0532 90; 90; 90 | 64.65 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501479 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 4.001; 4.001; 4.0411 90; 90; 90 | 64.69 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501480 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 4.0024; 4.0024; 4.0393 90; 90; 90 | 64.706 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501481 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 4.0083; 4.0083; 4.029 90; 90; 90 | 64.732 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501482 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 4 m m | 4.0108; 4.0108; 4.0237 90; 90; 90 | 64.727 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501483 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 1 m 1 | 4.0054; 3.9896; 4.0452 90; 90.23; 90 | 64.642 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501484 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 1 m 1 | 4.005; 3.9851; 4.0475 90; 90.241; 90 | 64.599 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501485 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P 1 m 1 | 4.0022; 3.9838; 4.0503 90; 90.252; 90 | 64.577 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501486 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P m -3 m | 4.0152; 4.0152; 4.0152 90; 90; 90 | 64.732 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501487 | CIF | Mg0.213 Nb0.427 O3 Pb Ti0.36 | P m -3 m | 4.0157; 4.0157; 4.0157 90; 90; 90 | 64.757 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501488 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P m -3 m | 4.0191; 4.0191; 4.0191 90; 90; 90 | 64.921 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501489 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P m -3 m | 4.0189; 4.0189; 4.0189 90; 90; 90 | 64.911 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501490 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 4 m m | 4.0159; 4.0159; 4.0249 90; 90; 90 | 64.911 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501491 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 4 m m | 4.0134; 4.0134; 4.0301 90; 90; 90 | 64.914 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501492 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 4 m m | 4.0121; 4.0121; 4.0322 90; 90; 90 | 64.906 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501493 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 1 m 1 | 4.019; 4.0078; 4.0276 90; 90.128; 90 | 64.874 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501494 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 1 m 1 | 4.02; 4.0046; 4.0281 90; 90.178; 90 | 64.846 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501495 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 1 m 1 | 4.0204; 3.9997; 4.0289 90; 90.241; 90 | 64.786 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501496 | CIF | Mg0.227 Nb0.453 O3 Pb Ti0.32 | P 1 m 1 | 4.022; 3.9946; 4.0314 90; 90.314; 90 | 64.769 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501497 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | P m -3 m | 4.0215; 4.0215; 4.0215 90; 90; 90 | 65.038 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501498 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | P m -3 m | 4.0211; 4.0211; 4.0211 90; 90; 90 | 65.018 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501499 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | P m -3 m | 4.0206; 4.0206; 4.0206 90; 90; 90 | 64.994 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501500 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | P 4 m m | 4.0166; 4.0166; 4.0287 90; 90; 90 | 64.995 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501501 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.6968; 5.682; 4.0132 90; 90.125; 90 | 129.904 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501502 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.7025; 5.6778; 4.0087 90; 90.24; 90 | 129.791 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
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