Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 70

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2105986 CIF
Paper
C10.98 H7 Br0.02 Cl N3.98 O2P 1 21/n 19.3618; 9.6497; 12.9909
90; 105.428; 90
1131.29Poulain, Agnieszka; Kubicki, Maciej; Lecomte, Claude
Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment
Acta Crystallographica Section B, 2014, 70, 973-982
2105987 CIF
HKL
Paper
Al46 Ru14P b m a23.4; 16.2; 20
90; 90; 90
7582Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa
Atomic structure solution of the complex quasicrystal approximant Al~77~Rh~15~Ru~8~ from electron diffraction data
Acta Crystallographica Section B, 2014, 70, 999-1005
2105988 CIF
HKL
Paper
Fe3.539 H4 O9 Si1.461C 1 m 15.5033; 9.5289; 7.3328
90; 104.493; 90
372.3Hybler, Jiří
Refinement of cronstedtite-1<i>M</i>
Acta Crystallographica Section B, 2014, 70, 963-972
2105989 CIF
HKL
Paper
C H10 N2 O4P n m a12.047; 4.4525; 11.023
90; 90; 90
591.3Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.
Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
Acta Crystallographica Section B, 2014, 70, 948-962
2105990 CIF
HKL
Paper
C H10 N2 O4P n m a12.056; 4.4519; 11.016
90; 90; 90
591.3Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.
Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
Acta Crystallographica Section B, 2014, 70, 948-962
2105991 CIF
HKL
Paper
C85.39 H157.5 Cr7.01 F8 Mn N O33.5P 1 21/c 124.9224; 16.5198; 30.8326
90; 110.356; 90
11901.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105992 CIF
HKL
C85.4 H157.49 Cr7.02 F8 Fe0.98 N O33.5P 1 21/c 125.0491; 16.6301; 30.9272
90; 110.183; 90
12092.2Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105993 CIF
HKL
C85.42 H157.48 Co0.94 Cr7.06 F8 N O33.5P 1 21/c 125.0305; 16.6392; 30.9101
90; 110.025; 90
12095.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105994 CIF
HKL
C85.46 H157.49 Cr7.07 F8 N Ni0.93 O33.5P 1 21/c 124.8611; 16.5028; 30.85
90; 110.092; 90
11886.8Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105995 CIF
HKL
C85.4 H157.5 Cr7.07 F8 N O33.5 Zn0.925P 1 21/c 124.941; 16.549; 30.871
90; 109.97; 90
11976Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105996 CIF
HKL
C85.39 H157.49 Cd0.89 Cr7.11 F8 N O33.5P 1 21/c 125.0715; 16.5459; 31.1595
90; 111.223; 90
12049.3Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105997 CIFC86 H160 Cr7 Cu F8 N O33P 1 21/c 125.0974; 16.6749; 30.9582
90; 110.205; 90
12158.6Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2106652 CIF
HKL
Paper
F7 H12 N3 TiP 4/m n c11.9597; 11.9597; 11.6747
90; 90; 90
1669.9Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2106653 CIF
HKL
Paper
F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90
1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2108350 CIF
HKL
Paper
F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90
1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2310129 CIF
HKL
Paper
C6 H8 O2C 1 2/m 112.402; 6.47; 6.321
90; 93.69; 90
506.2Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 197-211
2310756 CIFF Mg2 O4 PP 1 21/n 112.7628; 12.6564; 9.6348
90; 117.6; 90
1379.22Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310757 CIFF Fe1.078 Mg0.922 O4 PC 1 2/c 113.0183; 6.4149; 9.8411
90; 118.562; 90
721.823Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310758 CIFF Fe0.649 Mg1.351 O4 PC 1 2/c 112.884; 6.3889; 9.7384
90; 117.799; 90
709.098Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310759 CIFF Fe0.185 Mg1.815 O4 PC 1 2/c 112.7978; 6.3523; 9.6642
90; 117.567; 90
696.46Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310760 CIFF Fe0.029 Mg1.971 O4 PC 1 2/c 112.7707; 6.3394; 9.6462
90; 117.524; 90
692.553Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310761 CIFF Fe0 Mg2 O4 PC 1 2/c 112.7633; 6.3282; 9.635
90; 117.599; 90
689.66Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310762 CIF
Paper
Ba0.761 Ca0.239 Nb2 O6C m m 2 (2*c,a,b)7.9429; 17.624; 17.6229
90; 90; 90
2466.95Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310763 CIF
Paper
Ba0.761 Ca0.239 Nb2 O6P 4 b m (a,b,2*c)12.4476; 12.4476; 7.9291
90; 90; 90
1228.56Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310764 CIF
Paper
Ba0.693 Ca0.307 Nb2 O6P 4 b m (a,b,2*c)12.4608; 12.4608; 7.9185
90; 90; 90
1229.52Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310765 CIF
Paper
C17 H22 F N O2P 1 21/n 110.8498; 6.5247; 21.3826
90; 98.246; 90
1498.06Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans Christoph; Kesel, Andreas J.
N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 652-659
2310770 CIF
Paper
Cu3 SnC m c m5.521; 47.781; 4.334
90; 90; 90
1143.3Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310771 CIF
Paper
Cu3 SnC m c m5.5185; 47.768; 4.332
90; 90; 90
1141.95Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310772 CIF
Paper
Cu3 SnC m c m5.5196; 38.2386; 4.3321
90; 90; 90
914.34Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310773 CIF
Paper
Cu3 SnC m c m5.5184; 38.2337; 4.3326
90; 90; 90
914.13Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310774 CIF
Paper
Cu3 SnC m c m5.5199; 47.7904; 4.3326
90; 90; 90
1142.93Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310775 CIF
Paper
Cu3.048 Sn0.952P m m a (2*b+1/4,c,a-1/3)5.528; 4.783; 4.3391
90; 90; 90
114.73Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310776 CIF
Paper
Cu3.027 Sn0.973P m m a (2*b+1/4,c,a-1/3)5.525; 4.781; 4.3385
90; 90; 90
114.6Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310777 CIF
Paper
Cu3.031 Sn0.969P m m a (2*b+1/4,c,a-1/3)5.529; 4.787; 4.3381
90; 90; 90
114.82Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310778 CIF
Paper
Cu3.022 Sn0.978P m m a (2*b+1/4,c,a-1/3)5.523; 4.783; 4.336
90; 90; 90
114.54Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310779 CIF
Paper
Cu3.013 Sn0.987P m m a (2*b,c,a)5.529; 4.788; 4.3411
90; 90; 90
114.92Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310787 CIFO7 P2 Zn2I 1 2/c 120.1131; 8.2769; 9.109
90; 106.338; 90
1455.2Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310788 CIFO7 P2 Zn2C 1 2/m 16.6082; 8.2821; 4.5238
90; 105.439; 90
238.652Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310789 CIFO7 P2 Zn2C 1 2/m 16.6053; 8.2821; 4.5243
90; 105.416; 90
238.6Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310790 CIFO7 P2 Zn2C 1 2/m 16.6041; 8.2827; 4.5249
90; 105.406; 90
238.617Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310791 CIFO7 P2 Zn2C 1 2/m 16.6036; 8.283; 4.525
90; 105.403; 90
238.617Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310792 CIFO7 P2 Zn2C 1 2/m 16.6025; 8.2826; 4.5251
90; 105.4; 90
238.575Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310793 CIFO7 P2 Zn2C 1 2/m 16.6018; 8.2835; 4.526
90; 105.391; 90
238.633Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310794 CIFO7 P2 Zn2C 1 2/m 16.6011; 8.2839; 4.5266
90; 105.387; 90
238.655Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310795 CIFO7 P2 Zn2C 1 2/m 16.5998; 8.2845; 4.53
90; 105.335; 90
238.86Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2311629 CIFC19 H20 Cl N O6P 1 21 111.783; 8.5387; 19.297
90; 96.03; 90
1930.8Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311630 CIFC18 H20 Cl N O8P 21 21 218.5456; 11.74; 19.269
90; 90; 90
1933.2Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311631 CIFC18 H19.5 Cl N0.5 O7P 21 21 218.6852; 15.047; 27.605
90; 90; 90
3607.6Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311632 CIFC19 H22 Cl N O8C 1 2 121.931; 8.6541; 11.797
90; 117.57; 90
1984.7Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311633 CIF
Paper
C6 F10P 1 21/n 111.9302; 7.2371; 9.6574
90; 113.408; 90
765.2Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A.
Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 395-397

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