Crystallography Open Database

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2312009 CIF
Paper
C42 H28C m c e26.8106; 7.1602; 14.2029
90; 90; 90
2726.52Jørgensen, 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 H28C m c e (a-1/4,b-1/4,c)26.8106; 7.1602; 14.2029
90; 90; 90
2726.52Jørgensen, 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 O16C 1 2/c 133.5759; 7.6607; 25.1114
90; 114.698; 90
5868.16Jørgensen, 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 O16C 1 2/c 133.5939; 7.6658; 25.1324
90; 114.716; 90
5879.28Jørgensen, 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 O16C 1 2/c 133.5939; 7.6658; 25.1324
90; 114.716; 90
5879.28Jørgensen, 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 O16C 1 2/c 133.5939; 7.6658; 25.1324
90; 114.716; 90
5879.28Jørgensen, 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 CIFCa3 Mn2 O7C m c 2119.46; 5.243; 5.239
90; 90; 90
534.529Beanland, 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 CIFCa3 Mn2 O7C m c 2119.435; 5.258; 5.247
90; 90; 90
536.187Beanland, 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 CIFCa3 Mn2 O7C m c 2119.425; 5.278; 5.259
90; 90; 90
539.18Beanland, 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 CIFCa3 Mn2 O7C m c 2119.44; 5.3; 5.275
90; 90; 90
543.494Beanland, 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 CIFCa3 Mn2 O7C m c 2119.455; 5.325; 5.29
90; 90; 90
548.033Beanland, 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 O2P 1 21 112.368; 8.021; 13.536
90; 112.24; 90
1242.9Khouchen, 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 O2P 1 21 112.368; 8.021; 13.536
90; 112.24; 90
1242.9Khouchen, 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 O2P 1 21 112.368; 8.021; 13.536
90; 112.24; 90
1242.9Khouchen, 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 O2P 1 21 112.368; 8.021; 13.536
90; 112.24; 90
1242.9Khouchen, 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 O2P 1 21 112.368; 8.021; 13.536
90; 112.24; 90
1242.9Khouchen, 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 O2P 21 21 215.7733; 5.9524; 12.2465
90; 90; 90
420.85Khouchen, 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 O2P 21 21 215.7733; 5.9524; 12.2465
90; 90; 90
420.85Khouchen, 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 O2P 21 21 215.7733; 5.9524; 12.2465
90; 90; 90
420.85Khouchen, 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 O2P 21 21 215.7733; 5.9524; 12.2465
90; 90; 90
420.85Khouchen, 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 O2P 21 21 215.7733; 5.9524; 12.2465
90; 90; 90
420.85Khouchen, 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 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, 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 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, 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 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, 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 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, 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 Si3F d d 218.2872; 18.666; 6.6222
90; 90; 90
2260.5Khouchen, 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 CIFBa2 Fe2 O5P 1 21/c 16.969; 11.724; 23.431
90; 98.74; 90
1892.19Zou, 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 CIFBa3 Er Ga2 O7.5P 1 2/c 17.9362; 5.9639; 18.4416
90; 91.325; 90
872.62Abakumov, 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 CIFCl NP m -3 m3.8771; 3.8771; 3.8771
90; 90; 90
58.28Sirdeshmukh 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 CIFCl NP m -3 m3.8822; 3.8822; 3.8822
90; 90; 90
58.51Sirdeshmukh 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 CIFMn Nb O6 TaP b c n14.418; 5.76; 5.099
90; 90; 90
423.46Klein, S.; Weitzel, H.
Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure
Acta Crystallographica, Section A, 1976, 32, 587-591
9007496 CIFAl2 O3R -3 c :H4.7602; 4.7602; 12.9933
90; 90; 120
254.977Lewis, 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 CIFCu2 OP n -3 m :14.2685; 4.2685; 4.2685
90; 90; 90
77.772Kirfel, 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 CIFAl2 O3R -3 c :H4.757; 4.757; 12.9877
90; 90; 120
254.524Kirfel, 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 CIFBa0.4 O8 Ti4I 4/m10.12; 10.12; 2.96
90; 90; 90
303.147Xiang, 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 CIFC6 D6 Fe K4 N6 O3A 1 2/a 19.415; 17.006; 9.382
90; 90.03; 90
1502.17Taylor, 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 CIFC60F m -314.26; 14.26; 14.26
90; 90; 90
2899.74Dorset, 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 CIFFe0.24 Ni7.76 P0.63 Si2.37R -3 c :H6.64; 6.64; 37.9819
90; 90; 120
1450.25Marsh, R. E.
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Acta Crystallographica, Section A, 1994, 50, 450-455
9011075 CIFPd8 Sb3R -3 c :H7.6152; 7.6152; 43.032
90; 90; 120
2161.15Marsh, R. E.
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Acta Crystallographica, Section A, 1994, 50, 450-455
9011076 CIFC14 N4 O2 PtC m c m18.722; 11.889; 6.688
90; 90; 90
1488.65Marsh, R. E.
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Acta Crystallographica, Section A, 1994, 50, 450-455
9011077 CIFC9 H17 O4 PP 1 21/n 112.385; 6.59; 13.394
90; 98; 90
1082.54Marsh, R. E.
The centrosymmetric - noncentrosymmetric ambiguity: some more examples
Acta Crystallographica, Section A, 1994, 50, 450-455
9011078 CIFH12 Ni O10 SP 41 21 26.782; 6.782; 18.274
90; 90; 90
840.522Rousseau, 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 CIFCl K O4P n m a8.7684; 5.6237; 7.2039
90; 90; 90
355.23Marabello, 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 CIFBeP 63/m m c2.2858; 2.2858; 3.5843
90; 90; 120
16.219Yang, 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 CIFCd SeP 63 m c4.299; 4.299; 7.01
90; 90; 120
112.198Freeman, 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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