Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2312813 | CIF HKL | B Fe O3 | R -3 c :H | 4.6212; 4.6212; 14.473 90; 90; 120 | 267.67 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312814 | CIF HKL | B Fe0.95 Ga0.05 O3 | R -3 c :H | 4.6212; 4.6212; 14.47 90; 90; 120 | 267.61 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312815 | CIF HKL | B Fe0.74 Ga0.26 O3 | R -3 c :H | 4.6076; 4.6076; 14.406 90; 90; 120 | 264.86 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312816 | CIF HKL | B Fe0.32 Ga0.68 O3 | R -3 c :H | 4.5871; 4.5871; 14.291 90; 90; 120 | 260.42 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312817 | CIF HKL | B Fe0.17 Ga0.83 O3 | R -3 c :H | 4.5766; 4.5766; 14.246 90; 90; 120 | 258.41 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312818 | CIF HKL | B Ga O3 | R -3 c :H | 4.5641; 4.5641; 14.178 90; 90; 120 | 255.77 | Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A. Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108 |
| 2312819 | CIF | O4 Pb2 Sn | P 42/m b c | 8.7276; 8.7276; 6.297 90; 90; 90 | 479.65 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312820 | CIF | O4 Pb2 Sn | P b a m | 8.7288; 8.7263; 6.2969 90; 90; 90 | 479.64 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312821 | CIF | O4 Pb2 Sn | P b a m | 9.1901; 7.9508; 6.2893 90; 90; 90 | 459.55 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312822 | CIF | O4 Pb2 Sn | P b a m | 9.3799; 7.2103; 6.325 90; 90; 90 | 427.77 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312823 | CIF | O4 Pb2 Sn | P b a m | 9.3641; 6.8646; 6.3553 90; 90; 90 | 408.52 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312824 | CIF | O4 Pb2 Sn | P b a m | 9.3169; 6.6337; 6.3808 90; 90; 90 | 394.37 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312825 | CIF | O4 Pb2 Sn | P n a m | 9.2484; 6.4498; 6.4096 90; 90; 90 | 382.33 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312826 | CIF | O4 Pb2 Sn | P n a m | 9.183; 6.4046; 6.3727 90; 90; 90 | 374.8 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312827 | CIF | O4 Pb2 Sn | P n a m | 9.0691; 6.3282; 6.311 90; 90; 90 | 362.2 | Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991 |
| 2312834 | CIF | C8 H14 Fe O12 | P -1 | 5.2066; 7.3264; 9.2475 108.907; 105.498; 92.31 | 318.455 | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312835 | CIF | C8 H14 Fe O12 | P -1 | 5.2066; 7.3264; 9.2475 108.907; 105.498; 92.31 | 318.455 | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312836 | CIF | C4 H7 Fe0.5 O6 | P -1 | 5.2066; 7.3264; 9.2475 108.907; 105.498; 92.31 | 318.455 | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312837 | CIF | C4 H7 Fe0.5 O6 | P -1 | 5.2066; 7.3264; 9.2475 108.907; 105.498; 92.31 | 318.455 | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312838 | CIF | C8 H14 Fe O12 | P -1 | 5.20542; 7.32708; 9.24798 108.873; 105.572; 92.2943 | 318.38 | Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312855 | CIF HKL | C4 H16 Cl4 Mn N2 | I 4/m m m | 5.1748; 5.1748; 22.112 90; 90; 90 | 592.13 | Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312856 | CIF HKL | C4 H16 Cl4 Mn N2 | P b c a | 7.3088; 7.1675; 22.1136 90; 90; 90 | 1158.44 | Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312857 | CIF HKL | C4 H16 Cl4 Co N2 | P n m a | 10.0173; 7.4027; 17.5837 90; 90; 90 | 1303.92 | Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 2312858 | CIF HKL | C4 H16 Cl4 Co N2 | P 21 21 21 | 9.7066; 7.6312; 16.9019 90; 90; 90 | 1251.97 | Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81 |
| 5000003 | CIF | C4 H10 N2 O4 | P 21 21 21 | 5.593; 9.827; 11.808 90; 90; 90 | 649 | Verbist, J. J.; Lehmann, M. S.; Koetzle, T. F.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. VI. The crystal and molecular structure of the amino acid L-asparagine monohydrate Acta Crystallographica Section B, 1972, 28, 3006-3013 |
| 5000004 | CIF | C4 H7 N O4 | P 1 21 1 | 7.617; 6.982; 5.142 90; 99.84; 90 | 269.44 | Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F. The crystal and molecular structure of L-aspartic acid Acta Crystallographica Section B, 1968, 24, 1349-1354 |
| 5000006 | CIF | C5 H10 N2 O3 | P 21 21 21 | 16.02; 7.762; 5.119 90; 90; 90 | 636.53 | Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine Acta Crystallographica Section B, 1973, 29, 2571-2575 |
| 5000007 | CIF Paper | C5 H10 Cl N O4 | P 21 21 21 | 5.151; 11.789; 13.347 90; 90; 90 | 810.5 | Sequeira, A.; Rajagopal, H.; Chidambaram, R. A neutron diffraction study of the structure of L-glutamic acid.HCl Acta Crystallographica Section B, 1972, 28, 2514-2519 |
| 5000009 | CIF | C6 H9 N3 O2 | P 1 21 1 | 5.172; 7.384; 9.474 90; 97.162; 90 | 358.99 | Madden, J. J.; McGandy, E. L.; Seeman, N. C.; Harding, M. M.; Hoy, A. The crystal structure of the monoclinic form of L-histidine Acta Crystallographica Section B, 1972, 28, 2382-2389 |
| 5000011 | CIF | C6 H19 Cl N2 O4 | P 1 21 1 | 7.492; 13.32; 5.879 90; 97.79; 90 | 581.27 | Koetzle, T. F.; Lehmann, M. S.; Verbist, J. J.; Hamilton, W. C. Precision neutron diffraction structure determination of protein and nucleic acid components. VII. The crystal and molecular structure of the amino acid L-lysine monohydrochloride dihydrate Acta Crystallographica Section B, 1972, 28, 3207-3214 |
| 5000013 | CIF | C9 H12 Cl N O2 | P 21 21 21 | 27.763; 7.059; 5.38 90; 90; 90 | 1054.37 | Al-Karaghouli, A. R.; Koetzle, T. F. Neutron diffraction study of L-phenylalanine hydrochloride Acta Crystallographica Section B, 1975, 31, 2461-2465 |
| 5000015 | CIF | C3 H7 N O3 | P 21 21 21 | 8.599; 9.348; 5.618 90; 90; 90 | 451.59 | Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E. Refinements of the crystal structures of DL-serine and anhydrous L-serine Acta Crystallographica Section B, 1974, 30, 2573-2578 |
| 5000018 | CIF | C10 H13 N5 O4 | P 1 21 1 | 4.825; 10.282; 11.823 90; 99.3; 90 | 578.84 | Lai, T. F.; Marsh, R. E. The crystal structure of adenosine Acta Crystallographica Section B, 1972, 28, 1982-1989 |
| 5000020 | CIF | C10 H17 N5 O7 | P 1 21 1 | 17.518; 11.502; 6.658 90; 98.17; 90 | 1327.92 | Thewalt, U.; Bugg, C. E.; Marsh, R. E. The crystal structure of guanosine dihydrate and inosine dihydrate Acta Crystallographica Section B, 1970, 26, 1089-1101 |
| 5000021 | CIF | C10 H14 N2 O5 | P 21 21 21 | 4.86; 13.91; 16.32 90; 90; 90 | 1103.27 | Young, D. W.; Tollin, P.; Wilson, H. R. The crystal and molecular structure of thymidine Acta Crystallographica Section B, 1969, 25, 1423-1432 |
| 5000022 | CIF | C12 H18 N2 O10 | P 1 21 1 | 11.159; 14.461; 4.821 90; 101.15; 90 | 763.28 | Morikawa, K.; Torii, K.; Iitaka, Y.; Tsuboi, M. Uridine-5-oxyacetic acid methyl ester monohydrate Acta Crystallographica Section B, 1975, 31, 1004-1007 |
| 5000023 | CIF | C12 H8 Cl2 | P 1 21/n 1 | 15.78; 13.74; 9.682 90; 96.23; 90 | 2086.83 | Brock, C. P.; Kuo, M. S.; Levy, H. A. 4,4'-Dichlorobiphenyl: crystal packing in para-substituted biphenyls Acta Crystallographica Section B, 1978, 34, 981-985 |
| 5000024 | CIF | C12 Cl10 | P b c n | 13.372; 10.497; 11.992 90; 90; 90 | 1683.27 | Pedersen, B. Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure Acta Crystallographica Section B, 1975, 31, 2931-2933 |
| 5000031 | CIF | C18 H25 O2.499 | P 21 21 2 | 12.055; 19.28; 6.63 90; 90; 90 | 1540.95 | Busetta, B.; Hospital, M. Structure cristalline et moleculaire de l'oestradiol hemihydrate Acta Crystallographica Section B, 1972, 28, 560-567 |
| 5000032 | CIF | C18 H22 O2 | P 21 21 21 | 10.043; 18.424; 7.787 90; 90; 90 | 1440.85 | Busetta, B.; Courseille, C.; Hospital, M. Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone Acta Crystallographica Section B, 1973, 29, 298-313 |
| 5000038 | CIF | O2 Zr | F m -3 m | 5.1291; 5.1291; 5.1291 90; 90; 90 | 134.9 | Martin, U; Boysen, H; Frey, F Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K Acta Crystallographica Section B, 1993, 49, 403-413 |
| 5000063 | CIF | C6 H8 O7 | P 1 21/a 1 | 12.817; 5.628; 11.465 90; 111.22; 90 | 770.94 | Glusker, J. P.; Minkin, J. A.; Patterson, A. L. X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid Acta Crystallographica Section B, 1969, 25, 1066-1072 |
| 5000065 | CIF | C6 H12 O6 | P 21 21 21 | 8.088; 9.204; 10.034 90; 90; 90 | 746.95 | Kanters, J. A.; Roelofsen, G.; Alblas, B. P.; Meinders, I. The crystal and molecular structure of β-d-fructose, with emphasis on anomeric effect and hydrogen-bond interactions Acta Crystallographica Section B, 1977, 33, 665-672 |
| 5000078 | CIF | C4 H3 F N2 O2 | P -1 | 9.22; 12.66; 12.67 89.7; 43.9; 98.6 | 1000.08 | Fallon, III, L. The crystal and molecular structure of 5-fluorouracil Acta Crystallographica Section B, 1973, 29, 2549-2556 |
| 5000084 | CIF | C22 H29 F O4 | P 21 21 21 | 11.319; 22.803; 7.381 90; 90; 90 | 1905.09 | Dupont, L.; Dideberg, O.; Campsteyn, H. Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F Acta Crystallographica Section B, 1974, 30, 514-516 |
| 5000095 | CIF | Al1.26 Be3 Fe0.32 H2.2 Mg0.42 Na0.45 O19.1 Si6 | P 6/m c c | 9.292; 9.292; 9.193 90; 90; 120 | 687.4 | Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F. Single-crystal pulsed neutron diffraction of a highly hydrous beryl Acta Crystallographica B (39,1983-), 1995, 51, 733-737 |
| 5000102 | CIF | C17 H19 N O3 | P 1 21/n 1 | 8.743; 13.364; 13.147 90; 108.66; 90 | 1455.37 | Grynpas, M.; Lindley, P. F. The crystal and molecular structure of 1-piperoylpiperidine Acta Crystallographica Section B, 1975, 31, 2663-2667 |
| 5000111 | CIF | C27 H46 O | P 1 | 14.172; 34.209; 10.481 94.64; 90.67; 96.32 | 5032.77 | Shieh, H.-S.; Hoard, L. G.; Nordman, C. E. The structure of cholesterol Acta Crystallographica Section B, 1981, 37, 1538-1543 |
| 5000131 | CIF | C5 H6 N4 O S | C 1 2/c 1 | 15.294; 7.732; 12.379 90; 101.64; 90 | 1433.75 | Sletten, E.; Sletten, J.; Jensen, L. H. The crystal and molecular structure of 6-mercaptopurine monohydrate Acta Crystallographica Section B, 1969, 25, 1330-1338 |
| 5000140 | CIF | C6 H2 Cl N3 O6 | P 1 21/a 1 | 11.02; 6.795; 14.964 90; 124.15; 90 | 927.31 | Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M. The crystal structure of picryl chloride Acta Crystallographica Section B, 1971, 27, 786-793 |
| 5000142 | CIF | C6 H4 N2 O5 | P 21 21 21 | 6.106; 23.24; 5.168 90; 90; 90 | 733.36 | Kagawa, T.; Kawai, R.; Kashino, S.; Haisa, M. The crystal and molecular structure of 2,4-dinitrophenol Acta Crystallographica Section B, 1976, 32, 3171-3175 |
| 5000144 | CIF | C H4 N4 O2 | F d d 2 | 17.6152; 24.8502; 3.588 90; 90; 90 | 1570.62 | Choi, C. S. Refinement of 2-nitroguanidine by neutron powder diffraction Acta Crystallographica Section B, 1981, 37, 1955-1957 |
| 5000148 | CIF | C3 H6 N6 O6 | P b c a | 13.182; 11.574; 10.709 90; 90; 90 | 1633.86 | Choi, C. S.; Prince, E. The crystal structure of cyclotrimethylenetrinitramine Acta Crystallographica Section B, 1972, 28, 2857-2862 |
| 5000150 | CIF | C6 H3 N3 O6 | P b c a | 9.78; 26.94; 12.82 90; 90; 90 | 3377.73 | Choi, C. S.; Abel, J. E. The crystal structure of 1,3,5-trinitrobenzene by neutron diffraction Acta Crystallographica Section B, 1972, 28, 193-201 |
| 5000151 | CIF | C6 H4.339 N3 O8.669 | P -3 c 1 | 12.6077; 12.6077; 10.1147 90; 90; 120 | 1392.37 | Pierce-Butler, M. Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate Acta Crystallographica Section B, 1982, 38, 3097-3100 |
| 5000152 | CIF | C H5 N3 O4 | P 1 21/c 1 | 9.543; 8.201; 7.498 90; 124.25; 90 | 485.05 | Worsham, Jr, J. E.; Busing, W. R. The crystal structure of uronium nitrate (urea nitrate) by neutron diffraction Acta Crystallographica Section B, 1969, 25, 572-578 |
| 5000153 | CIF | C H6 N4 S | P 1 21/c 1 | 4.74; 15.53; 7.19 90; 122.4; 90 | 446.88 | Braibanti, A.; Tiripicchio, A.; Camellini, M. T. Crystal and molecular structure of thiocarbohydrazide Acta Crystallographica Section B, 1969, 25, 2286-2290 |
| 5000154 | CIF | C5 H8 N4 O12 | P c n b | 13.29; 13.49; 6.83 90; 90; 90 | 1224.5 | Cady, H. H.; Larson, A. C. Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data Acta Crystallographica Section B, 1975, 31, 1864-1869 |
| 5000158 | CIF | C12 H22 O4 | P 1 21/c 1 | 13.105; 4.921; 10.183 90; 97.4; 90 | 651.23 | Vanier, M.; Brisse, F. Nouvel affinement de la structure de l'acide dodécanedioïque Acta Crystallographica Section B, 1982, 38, 643-645 |
| 5000165 | CIF | C15 H13 N O | C 1 c 1 | 16.77; 4.83; 15.85 90; 115.4; 90 | 1159.73 | Haisa, M.; Kashino, S.; Ueno, T.; Shinozaki, N.; Matsuzaki, Y. The structures of N-aromatic amides: p-acetanisidide, N-2-naphthylacetamide and N-2-fluorenylacetamide Acta Crystallographica Section B, 1980, 36, 2306-2311 |
| 5000166 | CIF | C8 H8 O | P 1 21/n 1 | 10.256; 8.678; 8.558 90; 121; 90 | 652.88 | Tanimoto, Y.; Kobayashi, H.; Nagakura, S.; Saito, Y. The crystal structure of acetophenone at 154 K Acta Crystallographica Section B, 1973, 29, 1822-1826 |
| 5000168 | CIF | C14 H10 | P 1 21/a 1 | 8.5526; 6.0158; 11.172 90; 124.596; 90 | 473.168 | Brock, C. P.; Dunitz, J. D. Temperature dependence of thermal motion in crystalline anthracene Acta Crystallographica Section B, 1990, 46, 795-806 |
| 5000169 | CIF | C6 H11 N O | C 1 2/c 1 | 19.28; 7.78; 9.57 90; 112.39; 90 | 1327.27 | Winkler, F. K.; Dunitz, J. D. Medium-ring compounds. XIX. Caprolactam: structure refinement Acta Crystallographica Section B, 1975, 31, 268-269 |
| 5000173 | CIF | C7 H8 O | P 1 21/c 1 | 5.7; 11.71; 18.13 90; 99.07; 90 | 1194.99 | Bois, C. Structure du p-crésol à basse témperature Acta Crystallographica Section B, 1970, 26, 2086-2092 |
| 5000181 | CIF | C14 H10 | P 1 21 1 | 8.441; 6.14; 9.438 90; 97.96; 90 | 484.44 | Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Orientational disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Acta Crystallographica Section B, 1990, 46, 830-832 |
| 5000183 | CIF | C H4 N2 S | P b n m | 5.488; 7.663; 8.564 90; 90; 90 | 360.16 | Takahashi, I.; Onodera, A.; Shiozaki, Y. Structural changes of thiourea in connection with its phase transitions: reappraisal of rigidity and libration of the molecule Acta Crystallographica Section B, 1990, 46, 661-664 |
| 5000192 | CIF | C11 H23 Br O | P 1 21 1 | 47.1; 5.26; 31.14 90; 132.9; 90 | 5651.43 | Rosen, L. S.; Hybl, A. The crystal structure of 11-bromoundecanol Acta Crystallographica Section B, 1972, 28, 610-617 |
| 5910043 | CIF Paper | C4 H7 N3 O2 | P 1 21/c 1 | 7.728; 9.817; 7.52 90; 100.5; 90 | 561 | M. Eisenstein Static deformation densities for cytosine and adenine Acta Crystallographica Section B, 1988, 44, 412-426 |
| 5910086 | CIF | K2 O13 W4 | P -3 | 15.566; 15.566; 3.746 90; 90; 120 | 786.1 | Okada, K.; Marumo, F.; Iwai, S. I. The crystal structure of K2 W4 O13 Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3193-3195 |
| 5910115 | CIF Paper | C2 H6 O | P 1 c 1 | 5.377; 6.882; 8.255 90; 102.2; 90 | 298.6 | P.-G. Jönsson Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem., 1976, 32, 232-235 |
| 6000092 | CIF | Co O6 Pb2 W | I2/m | 7.9602; 5.6779; 5.6967 90; 90.047; 90 | 257.47 | Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B, 2000, 56, 570-576 |
| 6000193 | CIF Paper | C13 H36 Si4 | F m -3 m | 12.8902; 12.8902; 12.8902 90; 90; 90 | 2141.8 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000194 | CIF Paper | C12 H36 Si5 | F m -3 m | 13.5218; 13.5218; 13.5218 90; 90; 90 | 2472.31 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000195 | CIF Paper | C12 H36 Si5 | P 21 3 | 13.17158; 13.17158; 13.17158 90; 90; 90 | 2285.14 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000196 | CIF Paper | C13 H36 Si4 | P 21 3 | 12.609; 12.609; 12.609 90; 90; 90 | 2004.7 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000197 | CIF Paper | C13 H36 Si4 | P a -3 | 12.7876; 12.7876; 12.7876 90; 90; 90 | 2091.06 | Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~ Acta Crystallographica Section B, 1999, 55, 1014-1029 |
| 6000198 | CIF Paper | C15 H25 N O2 S | P 1 21/c 1 | 16.96; 8.1382; 11.781 90; 104.777; 90 | 1572.28 | Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher 2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors Acta Crystallographica Section B, 1999, 55, 1068-1074 |
| 6000447 | CIF | C8 H24 N2 O4 S | F | 11.026; 11.026; 11.026 90; 90; 90 | 1340.46 | Malchus, M.; Jansen, M. Structural investigations of the phase transitions of tetramethylammonium sulfate Acta Crystallographica B, 1998, 54, 494-502 |
| 6000571 | CIF | Cs D O4 S | P 1 21/c 1 | 7.7801; 8.1392; 7.7219 90; 110.872; 90 | 456.89 | Belushkin, A. V.; David, W. I. F.; Ibberson, R. M.; Shuvalov, L. A. High-resolution neutron powder diffraction studies of the structure of CsDSO4 Acta Crystallographica B, 1991, 47, 161-166 |
| 6000576 | CIF | C D6 I N | P b m a | 7.1743; 7.0967; 8.8323 90; 90; 90 | 449.69 | Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J. Neutron-diffraction and calorimetric studies of methylammonium iodide Acta Crystallographica B, 1992, 48, 329-336 |
| 9007500 | CIF | Ag3 As S3 | C 1 2/c 1 | 12; 6.26; 17.08 90; 110; 90 | 1205.67 | Engel, P.; Nowacki, W. Die kristallstruktur von Ag3AsS3 Acta Crystallographica, Section B, 1968, 24, 77-81 |
| 9007501 | CIF | Cu H6 O7 S | C 1 c 1 | 5.592; 13.029; 7.341 90; 97.05; 90 | 530.808 | Zahrobsky, R. F.; Baur, W. H. On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic Acta Crystallographica, Section B, 1968, 24, 508-513 |
| 9007502 | CIF | Fe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47 | P 1 21/n 1 | 10.526; 17.872; 7.136 90; 100.13; 90 | 1321.5 | Susse, P. Die kristallstruktur des botryogens Acta Crystallographica, Section B, 1968, 24, 760-767 |
| 9007503 | CIF | Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095 | P n m m :2 | 8.7126; 5.8108; 18.5214 90; 90; 90 | 937.686 | Donnay G; Allmann R Si3O10 groups in the crystal structure of ardennite Acta Crystallographica, Section B, 1968, 24, 845-855 |
| 9007504 | CIF | As2 H8 O9 | P 1 21/c 1 | 7.6; 13.29; 8.24 90; 109.6; 90 | 784.049 | Worzala, H. Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O Acta Crystallographica, Section B, 1968, 24, 987-991 |
| 9007505 | CIF | Ca Cu2.64 H12 O17 S2 Zn1.36 | C 1 2/c 1 | 22.186; 6.25; 21.853 90; 113.36; 90 | 2781.81 | Sabelli, C.; Zanazzi, P. F. The crystal structure of serpierite Acta Crystallographica, Section B, 1968, 24, 1214-1221 |
| 9007506 | CIF | Al3 B Fe0.1 Mg0.9 O9 Si | P b n m | 10.335; 10.978; 5.76 90; 90; 90 | 653.516 | Stephenson, D. A.; Moore, P. B. The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9 Acta Crystallographica, Section B, 1968, 24, 1518-1522 |
| 9007507 | CIF | B F4 Na | C m c m | 6.8368; 6.2619; 6.7916 90; 90; 90 | 290.758 | Brunton, G. Refinement of the structure of NaBF4 Acta Crystallographica, Section B, 1968, 24, 1703-1704 |
| 9007508 | CIF | B F4 K | P n m a | 8.6588; 5.48; 7.0299 90; 90; 90 | 333.57 | Brunton, G. The crystal structure of KBF4 Acta Crystallographica, Section B, 1969, 25, 2161-2162 |
| 9007509 | CIF | Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79 | A 1 2/m 1 | 8.83; 5.9; 19.17 90; 97.12; 90 | 990.998 | Galli, E.; Alberti, A. On the crystal structure of pumpellyite Acta Crystallographica, Section B, 1969, 25, 2276-2281 |
| 9007510 | CIF | Ag5 S4 Sb | C m c 21 | 7.873; 12.467; 8.583 90; 90; 90 | 842.445 | Ribar, B.; Nowacki, W. Die kristallstruktur von stephanit, [SbS3|S|Ag5] Acta Crystallographica, Section B, 1970, 26, 201-207 |
| 9007511 | CIF | As2 Ca2 H2 O8 | P -1 | 7.0591; 6.8906; 7.2006 97.43; 103.55; 87.75 | 337.625 | Ferraris, G.; Chiari, G. The crystal structure of CaHAsO4 (weilite) Acta Crystallographica, Section B, 1970, 26, 403-409 |
| 9007512 | CIF | Ca2 H4 Mn O10 P2 | P -1 | 5.79; 6.57; 5.51 102.27; 108.67; 90.3 | 193.428 | Fanfani, L.; Nunzi, A.; Zanazzi, P. F. The crystal structure of fairfieldite Acta Crystallographica, Section B, 1970, 26, 640-645 |
| 9007513 | CIF | Al H3 O3 | P -1 | 5.114; 5.082; 5.127 70.27; 74; 58.47 | 106.089 | Bosmans, H. J. Unit cell and crystal structure of nordstrandite, Al(OH)3 Acta Crystallographica, Section B, 1970, 26, 649-652 |
| 9007514 | CIF | Cu7 S4 | P n m a | 7.89; 7.84; 11.01 90; 90; 90 | 681.052 | Koto, K.; Morimoto, N. The crystal structure of anilite Acta Crystallographica, Section B, 1970, 26, 915-924 |
| 9007515 | CIF | As H15 Na2 O11 | P 1 21/n 1 | 9.401; 11.025; 10.674 90; 95.5; 90 | 1101.22 | Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596 |
| 9007516 | CIF | H15 Na2 O11 P | P 1 21/n 1 | 9.258; 11.007; 10.437 90; 95.61; 90 | 1058.47 | Baur, W. H.; Khan, A. A. On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate Acta Crystallographica, Section B, 1970, 26, 1584-1596 |
| 9007517 | CIF | As Cu3 S4 | P m n 21 | 7.407; 6.436; 6.154 90; 90; 90 | 293.37 | Adiwidjaja, G.; Lohn, J. Strukturverfeinerung von enargit, Cu3AsS4 Acta Crystallographica, Section B, 1970, 26, 1878-1879 |
| 9007518 | CIF | As Ca H5 O6 | I 1 a 1 | 5.9745; 15.434; 6.2797 90; 114.83; 90 | 525.525 | Ferraris, G.; Jones, D. W.; Yerkess, J. Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction Acta Crystallographica, Section B, 1971, 27, 349-354 |
| 9007519 | CIF | C11 H10 O2 S | P 21 21 21 | 18.331; 9.012; 5.949 90; 90; 90 | 982.769 | Christensen, A. T.; Thom, E. The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione Acta Crystallographica, Section B, 1971, 27, 581-586 |
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