Crystallography Open Database
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Searching journal of publication like 'Journal of Applied Crystallography' volume of publication is 47
| COD ID: 2300446 | |
| CIF file | Formula: - Al18.5 Co7.75 Ni0 - Comments: Singh, Devinder; Yun, Yifeng; Wan, Wei; Grushko, Benjamin; Zou, Xiaodong; Hovmöller, Sven A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~, solved by rotation electron diffraction Journal of Applied Crystallography 47(1) (2014) 215-221 Space group: P n m m :2 Cell volume: 3075.7 Cell parameters: 23.201; 32.31; 4.103; 90; 90; 90; |
| COD ID: 2300448 | |
| CIF file | Formula: - Al2 O3 - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: R -3 c :H Cell volume: 254.687 Cell parameters: 4.758152; 4.758152; 12.9897; 90; 90; 120; |
| COD ID: 2300449 | |
| CIF file | Formula: - Ca F2 - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: F m -3 m Cell volume: 163.059 Cell parameters: 5.463209; 5.463209; 5.463209; 90; 90; 90; |
| COD ID: 2300450 | |
| CIF file | Formula: - O Zn - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 63 m c Cell volume: 47.5984 Cell parameters: 3.249308; 3.249308; 5.205709; 90; 90; 120; |
| COD ID: 2300451 | |
| CIF file | Formula: - C12 H18 N2 O3 S - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P n a 21 Cell volume: 1452.33 Cell parameters: 20.31875; 7.84999; 9.10539; 90; 90; 90; |
| COD ID: 2300452 | |
| CIF file | Formula: - C12 H18 N2 O3 S - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 1 c 1 Cell volume: 2840.3 Cell parameters: 9.16849; 17.181; 18.1517; 90; 96.6067; 90; |
| COD ID: 2300453 | |
| CIF file | Formula: - C12 H18 N2 O3 S - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 1 21/n 1 Cell volume: 1448.93 Cell parameters: 11.80943; 9.06147; 13.99082; 90; 104.584; 90; |
| COD ID: 2300454 | |
| CIF file | Formula: - C2 H5 N O2 - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 1 21/c 1 Cell volume: 310.081 Cell parameters: 5.10422; 11.97177; 5.93652; 90; 121.264; 90; |
| COD ID: 2300455 | |
| CIF file | Formula: - C8 H9 N O2 - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 1 21/n 1 Cell volume: 774.27 Cell parameters: 11.71439; 9.38544; 7.10166; 90; 82.5879; 90; |
| COD ID: 2300456 | |
| CIF file | Formula: - C12 H24 O12 - Comments: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography 47(2) (2014) 659-667 Space group: P 1 21 1 Cell volume: 776.95 Cell parameters: 7.77208; 21.58192; 4.8172; 90; 74.0609; 90; |
| COD ID: 2300462 | |
| CIF file | Formula: - Ag5 Mg33 - Comments: Samuha, Shmuel; Krimer, Yaakov; Meshi, Louisa Strategies for full structure solution of intermetallic compounds using precession electron diffraction zonal data Journal of Applied Crystallography 47(3) (2014) 1032-1041 Space group: P b c m Cell volume: 2847.54 Cell parameters: 8.87; 16.48; 19.48; 90; 90; 90; |
| COD ID: 2300463 | |
| CIF file | Formula: - C7 H8 F N3 S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/c 1 Cell volume: 819.51 Cell parameters: 11.947; 5.5093; 12.4564; 90; 91.712; 90; |
| COD ID: 2300464 | |
| CIF file | Formula: - C7 H8 F N3 S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/c 1 Cell volume: 820.17 Cell parameters: 11.9525; 5.5111; 12.4566; 90; 91.699; 90; |
| COD ID: 2300465 | |
| CIF file | Formula: - C7 H8 F N3 S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/c 1 Cell volume: 816.17 Cell parameters: 11.9359; 5.5005; 12.4375; 90; 91.776; 90; |
| COD ID: 2300466 | |
| CIF file | Formula: - C7 H8 F N3 S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/c 1 Cell volume: 820.67 Cell parameters: 11.9533; 5.5087; 12.4688; 90; 91.699; 90; |
| COD ID: 2300467 | |
| CIF file | Formula: - C20 H15 Br - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 21 21 21 Cell volume: 1505.08 Cell parameters: 5.613; 8.5301; 31.4348; 90; 90; 90; |
| COD ID: 2300468 | |
| CIF file | Formula: - C20 H15 Br - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 21 21 21 Cell volume: 1502.32 Cell parameters: 5.6011; 8.5219; 31.4741; 90; 90; 90; |
| COD ID: 2300469 | |
| CIF file | Formula: - C20 H15 Br - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 21 21 21 Cell volume: 1506.2 Cell parameters: 5.6104; 8.5238; 31.496; 90; 90; 90; |
| COD ID: 2300470 | |
| CIF file | Formula: - C20 H15 Br - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 21 21 21 Cell volume: 1505.37 Cell parameters: 5.6112; 8.5333; 31.4392; 90; 90; 90; |
| COD ID: 2300471 | |
| CIF file | Formula: - C20 H26 Cu N8 O16 - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 2522.3 Cell parameters: 23.0024; 8.9753; 12.3386; 90; 98.041; 90; |
| COD ID: 2300472 | |
| CIF file | Formula: - C20 H26 Cu N8 O16 - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 2523.62 Cell parameters: 23.0151; 8.9752; 12.3404; 90; 98.108; 90; |
| COD ID: 2300473 | |
| CIF file | Formula: - C20 H26 Cu N8 O16 - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 2524 Cell parameters: 23.0144; 8.9745; 12.3423; 90; 98.069; 90; |
| COD ID: 2300474 | |
| CIF file | Formula: - C20 H26 Cu N8 O16 - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 2522.4 Cell parameters: 23.0253; 8.9728; 12.3325; 90; 98.12; 90; |
| COD ID: 2300475 | |
| CIF file | Formula: - C28 H25 Cl N2 O Sn - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 4864.7 Cell parameters: 15.5966; 16.1294; 20.4387; 90; 108.891; 90; |
| COD ID: 2300476 | |
| CIF file | Formula: - C28 H25 Cl N2 O Sn - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 4868.6 Cell parameters: 15.5993; 16.1284; 20.4476; 90; 108.849; 90; |
| COD ID: 2300477 | |
| CIF file | Formula: - C28 H25 Cl N2 O Sn - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 4849.2 Cell parameters: 15.5742; 16.1161; 20.4181; 90; 108.879; 90; |
| COD ID: 2300478 | |
| CIF file | Formula: - C28 H25 Cl N2 O Sn - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: C 1 2/c 1 Cell volume: 4855.9 Cell parameters: 15.5844; 16.112; 20.4375; 90; 108.872; 90; |
| COD ID: 2300479 | |
| CIF file | Formula: - C3 H9 N5 O6 Pb S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/n 1 Cell volume: 1044.31 Cell parameters: 5.3641; 13.8966; 14.2315; 90; 100.132; 90; |
| COD ID: 2300480 | |
| CIF file | Formula: - C3 H9 N5 O6 Pb S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/n 1 Cell volume: 1035.64 Cell parameters: 5.346; 13.8593; 14.1995; 90; 100.138; 90; |
| COD ID: 2300481 | |
| CIF file | Formula: - C3 H9 N5 O6 Pb S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/n 1 Cell volume: 1039.95 Cell parameters: 5.3522; 13.8783; 14.2186; 90; 100.048; 90; |
| COD ID: 2300482 | |
| CIF file | Formula: - C3 H9 N5 O6 Pb S - Comments: Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography 47(4) (2014) 1443-1444 Space group: P 1 21/n 1 Cell volume: 1040.41 Cell parameters: 5.3522; 13.8826; 14.2217; 90; 100.075; 90; |
| COD ID: 2300483 | |
| CIF file | Formula: - C34 H34 Cl2 F12 N4 O3 - Comments: Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species Journal of Applied Crystallography 47(4) (2014) 1380-1386 Space group: P 42/n :2 Cell volume: 3853.98 Cell parameters: 24.5663; 24.5663; 6.38601; 90; 90; 90; |
| COD ID: 2300484 | |
| CIF file | Formula: - F3 Na Ni - Comments: Lindsay-Scott, Alex; Dobson, David; Nestola, Fabrizio; Alvaro, Matteo; Casati, Nicola; Liebske, Christian; Knight, Kevin S.; Smith, Ronald I.; Wood, Ian G. Time-of-flight neutron powder diffraction with milligram samples: the crystal structures of NaCoF~3~ and NaNiF~3~ post-perovskites Journal of Applied Crystallography 47(6) (2014) 1939-1947 Space group: C m c m Cell volume: 225.18 Cell parameters: 3.0294; 10.0534; 7.3938; 90; 90; 90; |
| COD ID: 2300615 | |
| CIF file | Formula: - Fe2 O4 Zn - Comments: Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography 47(1) (2014) 414-420 Space group: F d -3 m :2 Cell volume: 590.8 Cell parameters: 8.391; 8.391; 8.391; 90; 90; 90; |
| COD ID: 2300616 | |
| CIF file | Formula: - Fe3 O4 - Comments: Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography 47(1) (2014) 414-420 Space group: F d -3 m :2 Cell volume: 583.9 Cell parameters: 8.3582; 8.3582; 8.3582; 90; 90; 90; |
| COD ID: 2300617 | |
| CIF file | Formula: - Fe2 O3 - Comments: Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography 47(1) (2014) 414-420 Space group: P 43 3 2 Cell volume: 579.34 Cell parameters: 8.3364; 8.3364; 8.3364; 90; 90; 90; |
| COD ID: 2300618 | |
| CIF file | Formula: - Fe2 Mn O4 - Comments: Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography 47(1) (2014) 414-420 Space group: F d -3 m :2 Cell volume: 586.61 Cell parameters: 8.3711; 8.3711; 8.3711; 90; 90; 90; |
| COD ID: 2300650 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 341.33 Cell parameters: 8.084; 5.9051; 8.5731; 90; 123.484; 90; |
| COD ID: 2300651 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 278.83 Cell parameters: 7.3886; 5.6145; 8.2776; 90; 125.706; 90; |
| COD ID: 2300652 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 282.67 Cell parameters: 7.4494; 5.6208; 8.2917; 90; 125.494; 90; |
| COD ID: 2300653 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 298.6 Cell parameters: 7.6472; 5.684; 8.389; 90; 125.028; 90; |
| COD ID: 2300654 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 313.31 Cell parameters: 7.8031; 5.7597; 8.4596; 90; 124.507; 90; |
| COD ID: 2300655 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 291.4 Cell parameters: 7.5578; 5.6554; 8.3443; 90; 125.212; 90; |
| COD ID: 2300656 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 360.98 Cell parameters: 8.2592; 5.98351; 8.6755; 90; 122.651; 90; |
| COD ID: 2300657 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 304.39 Cell parameters: 7.7152; 5.7097; 8.4166; 90; 124.816; 90; |
| COD ID: 2300658 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 332.63 Cell parameters: 7.9917; 5.8564; 8.5502; 90; 123.777; 90; |
| COD ID: 2300659 | |
| CIF file | Formula: - C5 H4 - Comments: Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography 47(3) (2014) 984 Space group: P 1 21/a 1 Cell volume: 320.41 Cell parameters: 7.8713; 5.788; 8.4908; 90; 124.076; 90; |
| COD ID: 9017493 | |
| CIF file | Formula: - Fe2.645 O3.99 - Comments: Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J. Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography 47 (2014) 414-420 Space group: P 43 3 2 Cell volume: 579.343 Cell parameters: 8.3364; 8.3364; 8.3364; 90; 90; 90; |
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