Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section A'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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