Crystallography Open Database
Search results
Result: there are 195 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 A (24,1968-38,1982)'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2310718 | CIF | Fe0.856 O | A b m 2 | 21.46999; 21.46999; 21.46999 90; 90; 90 | 9896.82 | Andersson, B.; Sleines, J.O. Decomposition and ordering in Fe(1-x) O Acta Crystallographica A (24,1968-38,1982), 1977, 33, 268-276 |
| 2310721 | CIF | D4 N2 O3 | P m -3 m | 4.3655; 4.3655; 4.3655 90; 90; 90 | 83.196 | Ahtee, M.; Hewat, A.W.; Kurki-Suonio, K.; Lucas, B.W. Determination of molecular orientations in cubic N D4 N O3 by multipole analysis Acta Crystallographica A (24,1968-38,1982), 1979, 35, 591-597 |
| 2310722 | CIF | Nb4 O12 Th | I m m m | 16.551; 5.517; 15.716 90; 90; 90 | 1435.06 | Alario-Franco, M.A.; Grey, I.E.; Labeau, M.; Joubert, J.C.; Vincent, H. Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples Acta Crystallographica A (24,1968-38,1982), 1982, 38, 177-186 |
| 2310723 | CIF | Nb4 O12 Th | P m a m | 5.517; 5.517; 7.858 90; 90; 90 | 239.176 | Alario-Franco, M.A.; Grey, I.E.; Joubert, J.C.; Vincent, H.; Labeau, M. Structural studies on a-cation-deficient perovskite-related phases. I. Th Nb4 O12. Thorium vacancy ordering in slow-cooled samples Acta Crystallographica A (24,1968-38,1982), 1982, 38, 177-186 |
| 2310730 | CIF | Na2 O19 Ti9 | C 1 2/m 1 | 12.2; 3.78; 15.6 90; 105; 90 | 694.896 | Bando, Y. Combination of Convergent-Beam Electron Diffraction and 1 MeV Structure Imaging in a Structure Determination of Na2 Ti9 O19 Acta Crystallographica A (24,1968-38,1982), 1982, 38, 211-214 |
| 2310805 | CIF | K0.1 Na0.9 Nb O3 | P 4/m b m | 5.5783; 5.5783; 3.9443 90; 90; 90 | 122.736 | Ahtee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982), 1978, 34, 309-317 |
| 2310806 | CIF | K0.8 Na0.2 Nb O3 | P 1 m 1 | 7.9162; 7.835; 7.8993 90; 90.325; 90 | 489.934 | Ahtee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982), 1978, 34, 309-317 |
| 2310807 | CIF | Cl2 Fe H4 O2 | C 1 2/m 1 | 7.25; 8.4; 3.6 90; 98.2; 90 | 216.999 | Schneider, W.; Weitzel, H. Bestimmung der Magnetischen Phasen von Eisen(II)-chlorid-doppelhydrat, Fe Cl2 (H2 0)2, und Kobalt(II)-chlorid-doppelhydrat, Co Cl2 (H2 O)2, mit Neutronenbeugung Acta Crystallographica A (24,1968-38,1982), 1976, 32, 32-37 |
| 2310808 | CIF | K0.65 Na0.35 Nb O3 | P 1 m 1 | 7.9751; 7.862; 7.9565 90; 90.34; 90 | 498.866 | Athee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982), 1978, 34, 309-317 |
| 2310809 | CIF | O8 P2 Pb3 | C 1 2/c 1 | 13.8; 5.691; 9.42 90; 102.3; 90 | 722.825 | Guimaraes, D.M.C. Ferroelastic transformations in lead orthophosphate and its structure as a function of temperature Acta Crystallographica A (24,1968-38,1982), 1979, 35, 108-114 |
| 2310820 | CIF | H Na O | P 1 21/m 1 | 3.345; 3.445; 6.08 90; 109.9; 90 | 65.879 | Bleif, H.J.; Dachs, H. Crystalline modifications and structural phase transitions of Na O H and Na O D Acta Crystallographica A (24,1968-38,1982), 1982, 38, 470-476 |
| 2310821 | CIF | D Na O | F m -3 m | 5.1; 5.1; 5.1 90; 90; 90 | 132.651 | Bleif, H.J.; Dachs, H. Crystalline modifications and structural phase transitions of Na O H and Na O D Acta Crystallographica A (24,1968-38,1982), 1982, 38, 470-476 |
| 2310824 | CIF | O64 V51.61 | I 41/a m d :2 | 11.707; 11.707; 8.278 90; 90; 90 | 1134.53 | Morinaga, M.; Cohen, J.B. The defect structure of V Ox. The ordered phase, V O1.3 Acta Crystallographica A (24,1968-38,1982), 1979, 35, 745-756 |
| 2310957 | CIF | N Ta | F m -3 m | 4.358; 4.358; 4.358 90; 90; 90 | 82.768 | Popova, S.V. The crystal structures of new superconducting meterials obtained by high pressure treatment Acta Crystallographica A (24,1968-38,1982), 1975, 31, S99-S99 |
| 2310995 | CIF | Ni Se | P 63/m m c | 4.04; 4.04; 6.71 90; 90; 120 | 94.845 | Srivastava, M.M.; Srivastava, O.N. Studies of structure, electrical resistivity, and modulated structures in Fe Se and Ni Se alloys Acta Crystallographica A (24,1968-38,1982), 1975, 31, S82-S82 |
| 2311012 | CIF | O3 Pb2 | P 1 21/c 1 | 7.565; 5.625; 7.814 90; 113.2; 90 | 305.622 | Bouvaist, J.; Weigel, D. Sesquioxyde de plomb, Pb2 O3. I. Determination de la structure Acta Crystallographica A (24,1968-38,1982), 1970, 26, 501-510 |
| 2311042 | CIF | Cl Na | F m -3 m | 5.62; 5.62; 5.62 90; 90; 90 | 177.504 | Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao; Knox, Kevin R.; Billinge, Simon J. L. Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems Acta Crystallographica Section A, 2015, 71, 562-568 |
| 2311057 | CIF | Ca3 Fe2 H7.4 O12 Si1.15 | I a -3 d | 12.49; 12.49; 12.49 90; 90; 90 | 1948.44 | Cohen-Addad, C. Etude du compose Ca3 Fe2 (Si O4)1.15 (O H)7.4 par absorption infrarouge et diffraction des rayons X et des neutrons Acta Crystallographica A (24,1968-38,1982), 1971, 27, 68-70 |
| 2311059 | CIF | K0.02 Na0.98 Nb O3 | P 1 m 1 | 7.8567; 7.767; 7.8478 90; 90.856; 90 | 478.843 | Ahtee, M.; Hewat, A.W. The structures of Na0.98 K0.02 Nb O3 and Na0.9 K0.1 Nb O3 (phase Q) at room temperature by neutron powder diffraction Acta Crystallographica A (24,1968-38,1982), 1975, 31, 846-850 |
| 2311060 | CIF | K0.1 Na0.9 Nb O3 | P 1 m 1 | 7.8782; 7.792; 7.8632 90; 90.479; 90 | 482.681 | Ahtee, M.; Hewat, A.W. The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982), 1975, 31, 846-850 |
| 2311061 | CIF | C3 H12 N6 O4 S4 Zn | P c a 21 | 11.0616; 7.7264; 15.558 90; 90; 90 | 1329.69 | Cole, J. M.; McIntyre, G. J.; Lehmann, M. S.; Myles, D. A. A.; Wilkinson, C.; Howard, J. A. K. Rapid neutron-diffraction data collection for hydrogen-bonding studies: application of the Laue diffractometer (LADI) to the case study zinc tris(thiourea) sulfate Acta Crystallographica Section A, 2001, 57, 429-434 |
| 2311066 | CIF | P Ti2 | P -6 2 m | 19.969; 19.969; 3.4589 90; 90; 120 | 1194.49 | Gemmi, M.; Zou, X.-D.; Migliori, A.; Hovmöller, S.; Vennstrom, M.; Andersson, Y. Structure of Ti~2~P solved by three-dimensional electron diffraction data collected with the precession technique and high-resolution electron microscopy Acta Crystallographica Section A, 2003, 59, 117-126 |
| 2311071 | CIF | Mg O3 Si | P b c a | 18.227; 8.819; 5.179 90; 90; 90 | 832.493 | Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R. On the estimation of atomic charges by the X-ray method for some oxides and silicates Acta Crystallographica A (24,1968-38,1982), 1980, 36, 904-915 |
| 2311081 | CIF HKL | C15 H12 N2 O | P 1 21/n 1 | 7.578; 11.176; 13.991 90; 93.08; 90 | 1183 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 2311082 | CIF HKL | C6 H5 N O2 | P 1 21/c 1 | 7.303; 11.693; 7.33 90; 113.68; 90 | 573 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 2311083 | CIF HKL | C15 H12 N2 O | P 1 21/n 1 | 7.576; 11.188; 13.967 90; 87.03; 90 | 1182 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 2311084 | CIF HKL | C6 H5 N O2 | P 1 21/c 1 | 7.41; 11.692; 7.377 90; 114.45; 90 | 582 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 2311085 | CIF HKL Paper | C15 H12 N2 O | P 1 21/n 1 | 7.68; 11.44; 13.92 90; 91.22; 90 | 1222.72 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
| 2311087 | CIF | C3 H7 N O2 | P 21 21 21 | 5.928; 12.26; 5.794 90; 90; 90 | 421.092 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
| 2311088 | CIF | C10 H8 | P 1 21/c 1 | 7.8248; 5.9349; 8.0997 90; 114.441; 90 | 342.438 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
| 2311089 | CIF | C5 H12 O5 | P 21 21 21 | 8.262; 8.9; 8.923 90; 90; 90 | 656.124 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
| 2311090 | CIF | C10 H8 | P 1 21/c 1 | 7.808; 5.943; 8.097 90; 114.4; 90 | 342.2 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
| 2311094 | CIF HKL | C11 H15 B O2 | P b c a | 7.52; 9.3837; 30.712 90; 90; 90 | 2167.21 | Fournier, Bertrand; Guillot, Beno\?ît; Lecomte, Claude; Escudero-Adán, Eduardo C.; Jelsch, Christian A method to estimate statistical errors of properties derived from charge-density modelling Acta Crystallographica Section A, 2018, 74, 170-183 |
| 2311095 | CIF Paper | C2 H4 N2 O2 | P 1 21/a 1 | 8.952; 6.1946; 3.4927 90; 112.19; 90 | 179.34 | Tanaka, Kiyoaki X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework Acta Crystallographica Section A, 2018, 74, 345-356 |
| 2311096 | CIF HKL Paper | C16 H18 O5 | P 21 21 21 | 8.015; 10.015; 17.703 90; 90; 90 | 1421 | Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter Reducing dynamical electron scattering reveals hydrogen atoms Acta Crystallographica Section A, 2019, 75, 82-93 |
| 2311097 | CIF HKL | C18 H16 N2 O6 S2 | P 21 21 21 | 10.996; 12.452; 13.218 90; 90; 90 | 1809.8 | Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter Reducing dynamical electron scattering reveals hydrogen atoms Acta Crystallographica Section A, 2019, 75, 82-93 |
| 2311098 | CIF HKL | C6 H7 Cl N2 O3 | P n a 21 | 16.8015; 6.5945; 22.4243 90; 90; 90 | 2484.56 | Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate) Acta Crystallographica Section A, 2019, 75, 107-114 |
| 2311099 | CIF Paper | C33.94 Al0 Na58.75 O481.8 Si192 | F d -3 m :2 | 24.94919; 24.94919; 24.94919 90; 90; 90 | 15529.9 | Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment Acta Crystallographica Section A Foundations and Advances, 2019, 75 |
| 2311100 | CIF Paper | C0.34 Al0 Na0.36 O2.57 Si | F d -3 m :2 | 24.86059; 24.86059; 24.86059 90; 90; 90 | 15365.1 | Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment Acta Crystallographica Section A Foundations and Advances, 2019, 75 |
| 2311101 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2311102 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2311103 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2311104 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2311105 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2311106 | CIF HKL Paper | C3 H7 N O2 | P 21 21 21 | 5.9534; 12.2772; 5.7882 90; 90; 90 | 423.07 | Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø. A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine Acta Crystallographica Section A, 2020, 76, 32-44 |
| 2312005 | CIF Paper | C42 H28 | C m c e | 26.7972; 7.1617; 14.194 90; 90; 90 | 2724.02 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312006 | CIF Paper | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312007 | CIF Paper | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312008 | CIF Paper | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312009 | CIF Paper | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312010 | CIF Paper | C42 H28 | C m c e (a-1/4,b-1/4,c) | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312011 | CIF Paper | C23 H25 N11 O16 | C 1 2/c 1 | 33.5759; 7.6607; 25.1114 90; 114.698; 90 | 5868.16 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312012 | CIF Paper | C23 H25 N11 O16 | C 1 2/c 1 | 33.5939; 7.6658; 25.1324 90; 114.716; 90 | 5879.28 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312014 | CIF Paper | C23 H25 N11 O16 | C 1 2/c 1 | 33.5939; 7.6658; 25.1324 90; 114.716; 90 | 5879.28 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312015 | CIF Paper | C23 H25 N11 O16 | C 1 2/c 1 | 33.5939; 7.6658; 25.1324 90; 114.716; 90 | 5879.28 | Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679 |
| 2312030 | CIF | Ca3 Mn2 O7 | C m c 21 | 19.46; 5.243; 5.239 90; 90; 90 | 534.529 | Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A, 2021, 77, 196-207 |
| 2312031 | CIF | Ca3 Mn2 O7 | C m c 21 | 19.435; 5.258; 5.247 90; 90; 90 | 536.187 | Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A, 2021, 77, 196-207 |
| 2312032 | CIF | Ca3 Mn2 O7 | C m c 21 | 19.425; 5.278; 5.259 90; 90; 90 | 539.18 | Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A, 2021, 77, 196-207 |
| 2312033 | CIF | Ca3 Mn2 O7 | C m c 21 | 19.44; 5.3; 5.275 90; 90; 90 | 543.494 | Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A, 2021, 77, 196-207 |
| 2312034 | CIF | Ca3 Mn2 O7 | C m c 21 | 19.455; 5.325; 5.29 90; 90; 90 | 548.033 | Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S. A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~ Acta Crystallographica Section A, 2021, 77, 196-207 |
| 2312286 | CIF Paper | C13 H18 O2 | P 1 21 1 | 12.368; 8.021; 13.536 90; 112.24; 90 | 1242.9 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312287 | CIF Paper | C13 H18 O2 | P 1 21 1 | 12.368; 8.021; 13.536 90; 112.24; 90 | 1242.9 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312288 | CIF Paper | C13 H18 O2 | P 1 21 1 | 12.368; 8.021; 13.536 90; 112.24; 90 | 1242.9 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312289 | CIF Paper | C13 H18 O2 | P 1 21 1 | 12.368; 8.021; 13.536 90; 112.24; 90 | 1242.9 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312290 | CIF Paper | C13 H18 O2 | P 1 21 1 | 12.368; 8.021; 13.536 90; 112.24; 90 | 1242.9 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312291 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.7733; 5.9524; 12.2465 90; 90; 90 | 420.85 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312292 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.7733; 5.9524; 12.2465 90; 90; 90 | 420.85 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312293 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.7733; 5.9524; 12.2465 90; 90; 90 | 420.85 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312294 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.7733; 5.9524; 12.2465 90; 90; 90 | 420.85 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312295 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.7733; 5.9524; 12.2465 90; 90; 90 | 420.85 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312296 | CIF Paper | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.2872; 18.666; 6.6222 90; 90; 90 | 2260.5 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312297 | CIF Paper | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.2872; 18.666; 6.6222 90; 90; 90 | 2260.5 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312298 | CIF Paper | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.2872; 18.666; 6.6222 90; 90; 90 | 2260.5 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312299 | CIF Paper | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.2872; 18.666; 6.6222 90; 90; 90 | 2260.5 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 2312300 | CIF Paper | Al2 H4 Na2 O12 Si3 | F d d 2 | 18.2872; 18.666; 6.6222 90; 90; 90 | 2260.5 | Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data Acta Crystallographica Section A Foundations and Advances, 2023, 79, 427-439 |
| 5910138 | CIF | Ba2 Fe2 O5 | P 1 21/c 1 | 6.969; 11.724; 23.431 90; 98.74; 90 | 1892.19 | Zou, X. D.; Hovmoller, S.; Parras, M.; Gonzalez-Calbet, J. M.; Vallet-Regi, M.; Grenier, J. C. The complex perovskite-related superstructure Ba~2~Fe~2~O~5~ solved by HREM and CIP Acta Crystallographica Section A, 1993, 49, 27-35 |
| 6000234 | CIF | Ba3 Er Ga2 O7.5 | P 1 2/c 1 | 7.9362; 5.9639; 18.4416 90; 91.325; 90 | 872.62 | Abakumov, A. M.; Shpanchenko, R. V.; Lebedev, O. I.; Van, Tendeloo G; Amelinckx, S.; Antipov, E. V. The phase transitions and crystal structures of Ba3RM2O7.5 complex oxides (R = rare-earth elements, m = Al, Ga) Acta Crystallographica Section A, 1999, 55, 828-839 |
| 9007493 | CIF | Cl N | P m -3 m | 3.8771; 3.8771; 3.8771 90; 90; 90 | 58.28 | Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 31.5 C Acta Crystallographica, Section A, 1970, 26, 295-295 |
| 9007494 | CIF | Cl N | P m -3 m | 3.8822; 3.8822; 3.8822 90; 90; 90 | 58.51 | Sirdeshmukh D B; Deshpande V T X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 54.0 C Acta Crystallographica, Section A, 1970, 26, 295-295 |
| 9007495 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.46 | Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A, 1976, 32, 587-591 |
| 9007496 | CIF | Al2 O3 | R -3 c :H | 4.7602; 4.7602; 12.9933 90; 90; 120 | 254.977 | Lewis, J.; Schwarzenbach, D.; Flack, H. D. Electric field gradients and charge density in corundum alpha-Al2O3 Acta Crystallographica, Section A, 1982, 38, 733-739 |
| 9007497 | CIF | Cu2 O | P n -3 m :1 | 4.2685; 4.2685; 4.2685 90; 90; 90 | 77.772 | Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset. Acta Crystallographica, Section A, 1990, 46, 271-284 |
| 9007498 | CIF | Al2 O3 | R -3 c :H | 4.757; 4.757; 12.9877 90; 90; 120 | 254.524 | Kirfel, A.; Eichhorn, K. Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Acta Crystallographica, Section A, 1990, 46, 271-284 |
| 9007499 | CIF | Ba0.4 O8 Ti4 | I 4/m | 10.12; 10.12; 2.96 90; 90; 90 | 303.147 | Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q. Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra Acta Crystallographica, Section A, 1990, 46, 929-934 |
| 9011072 | CIF | C6 D6 Fe K4 N6 O3 | A 1 2/a 1 | 9.415; 17.006; 9.382 90; 90.03; 90 | 1502.17 | Taylor, J. C.; Mueller, M. H.; Hitterman, R. L. A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the Curie temperature Locality: synthetic Acta Crystallographica, Section A, 1970, 26, 559-567 |
| 9011073 | CIF | C60 | F m -3 | 14.26; 14.26; 14.26 90; 90; 90 | 2899.74 | Dorset, D. L.; McCourt, M. P. Disorder and the molecular packing of C60 buckminsterfullerene: a direct electron-crystallographic analysis Sample: room T Acta Crystallographica, Section A, 1994, 50, 344-351 |
| 9011074 | CIF | Fe0.24 Ni7.76 P0.63 Si2.37 | R -3 c :H | 6.64; 6.64; 37.9819 90; 90; 120 | 1450.25 | Marsh, R. E. The centrosymmetric - noncentrosymmetric ambiguity: some more examples Acta Crystallographica, Section A, 1994, 50, 450-455 |
| 9011075 | CIF | Pd8 Sb3 | R -3 c :H | 7.6152; 7.6152; 43.032 90; 90; 120 | 2161.15 | Marsh, R. E. The centrosymmetric - noncentrosymmetric ambiguity: some more examples Acta Crystallographica, Section A, 1994, 50, 450-455 |
| 9011076 | CIF | C14 N4 O2 Pt | C m c m | 18.722; 11.889; 6.688 90; 90; 90 | 1488.65 | Marsh, R. E. The centrosymmetric - noncentrosymmetric ambiguity: some more examples Acta Crystallographica, Section A, 1994, 50, 450-455 |
| 9011077 | CIF | C9 H17 O4 P | P 1 21/n 1 | 12.385; 6.59; 13.394 90; 98; 90 | 1082.54 | Marsh, R. E. The centrosymmetric - noncentrosymmetric ambiguity: some more examples Acta Crystallographica, Section A, 1994, 50, 450-455 |
| 9011078 | CIF | H12 Ni O10 S | P 41 21 2 | 6.782; 6.782; 18.274 90; 90; 90 | 840.522 | Rousseau, B.; Maes, S. T.; Lenstra, A. T. H. Systematic intensity errors and model imperfection as the consequence of spectral truncation Acta Crystallographica, Section A, 2000, 56, 300-307 |
| 9011079 | CIF | Cl K O4 | P n m a | 8.7684; 5.6237; 7.2039 90; 90; 90 | 355.23 | Marabello, D.; Bianchi, R.; Gervasio, G.; Cargnoni, F. An experimental (120K) and theoretical electron-density study of KMnO4 and KClO4 Locality: synthetic Note: potassium perchlorate T = 120 K Acta Crystallographica, Section A, 2004, 60, 494-501 |
| 9012032 | CIF | Be | P 63/m m c | 2.2858; 2.2858; 3.5843 90; 90; 120 | 16.219 | Yang, Y. W.; Coppens, P. The electron density and bonding in beryllium metal as studied by Fourier methods Acta Crystallographica Section A, 1978, 34, 61-65 |
| 9016056 | CIF | Cd Se | P 63 m c | 4.299; 4.299; 7.01 90; 90; 120 | 112.198 | Freeman, D. K.; Mair, S. L.; Barnea, Z. The structure and Bijvoet ratios of cadmium selenide Acta Crystallographica, Section A, 1977, 33, 355-359 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!