Crystallography Open Database
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Searching journal of publication like 'Journal of Applied Crystallography'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2300645 | CIF HKL | O96 Si48 | C m c m | 18.11; 20.53; 7.528 90; 90; 90 | 2798.9 | Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation Journal of Applied Crystallography, 2018, 51 |
| 2300646 | CIF HKL | C6 H8 O6 | P 1 21 1 | 6.4213; 6.3622; 17.1606 90; 99.355; 90 | 691.75 | McMonagle, Charles James; Probert, Michael Richard Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials Journal of Applied Crystallography, 2019, 52, 445-450 |
| 2300647 | CIF HKL | C6 H8 O6 | P 1 21 1 | 6.4196; 6.3619; 17.1568 90; 99.356; 90 | 691.38 | McMonagle, Charles James; Probert, Michael Richard Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials Journal of Applied Crystallography, 2019, 52, 445-450 |
| 2300648 | CIF HKL | C6 H8 O6 | P 1 21 1 | 6.4259; 6.3637; 17.168 90; 99.368; 90 | 692.7 | McMonagle, Charles James; Probert, Michael Richard Reducing the background of ultra-low-temperature X-ray diffraction data through new methods and advanced materials Journal of Applied Crystallography, 2019, 52, 445-450 |
| 2300649 | CIF HKL Paper | Al6.24 K1.03 Mg2.18 O88.58 Si29.76 | I m m m | 7.509; 14.1395; 19.2362 90; 90; 90 | 2042.37 | Giacobbe, Carlotta; Wright, Jonathan; Dejoie, Catherine; Tafforeau, Paul; Berruyer, Camille; Vigliaturo, Ruggero; Gieré, Reto; Gualtieri, Alessandro F. Depicting the crystal structure of fibrous ferrierite from British Columbia using a combined synchrotron techniques approach Journal of Applied Crystallography, 2019, 52 |
| 2300650 | CIF Paper | C5 H4 | P 1 21/a 1 | 8.084; 5.9051; 8.5731 90; 123.484; 90 | 341.33 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300651 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.3886; 5.6145; 8.2776 90; 125.706; 90 | 278.83 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300652 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.4494; 5.6208; 8.2917 90; 125.494; 90 | 282.67 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300653 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.6472; 5.684; 8.389 90; 125.028; 90 | 298.6 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300654 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.8031; 5.7597; 8.4596 90; 124.507; 90 | 313.31 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300655 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.5578; 5.6554; 8.3443 90; 125.212; 90 | 291.4 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300656 | CIF Paper | C5 H4 | P 1 21/a 1 | 8.2592; 5.98351; 8.6755 90; 122.651; 90 | 360.98 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300657 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.7152; 5.7097; 8.4166 90; 124.816; 90 | 304.39 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300658 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.9917; 5.8564; 8.5502 90; 123.777; 90 | 332.63 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300659 | CIF Paper | C5 H4 | P 1 21/a 1 | 7.8713; 5.788; 8.4908 90; 124.076; 90 | 320.41 | Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D. High-pressure structural properties of naphthalene up to 6 GPa Journal of Applied Crystallography, 2014, 47, 984 |
| 2300660 | CIF Paper | C15 H15 N O | P n a 21 | 9.5277; 11.1555; 11.7848 90; 90; 90 | 1252.56 | Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals Journal of Applied Crystallography, 2017, 50, 1498 |
| 2300661 | CIF Paper | C6 Fe14 | P b c a | 4.5251; 13.7555; 23.9096 90; 90; 90 | 1488.3 | Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry Formation of two crystal modifications of Fe7C3−x at 5.5 GPa Journal of Applied Crystallography, 2019, 52, 1378 |
| 2300662 | CIF Paper | C6 Fe14 | P b c a | 11.9698; 4.524; 13.7658 90; 90; 90 | 745.44 | Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry Formation of two crystal modifications of Fe7C3−x at 5.5 GPa Journal of Applied Crystallography, 2019, 52, 1378 |
| 2300663 | CIF HKL | Fe4 Mn Si3 | P 63/m c m | 6.7705; 6.7705; 4.7044 90; 90; 120 | 186.76 | Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen Combined X-ray and neutron single-crystal diffraction in diamond anvil cells Journal of Applied Crystallography, 2020, 53, 9-14 |
| 2300664 | CIF HKL | Fe4 Mn Si3 | P 63/m c m | 6.7705; 6.7705; 4.7044 90; 90; 120 | 186.76 | Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen Combined X-ray and neutron single-crystal diffraction in diamond anvil cells Journal of Applied Crystallography, 2020, 53, 9-14 |
| 2300665 | CIF | Li Nb O3 | R 3 c :H | 5.1505; 5.1505; 13.8742 90; 90; 120 | 318.741 | Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography, 2020, 53, 614 |
| 2300666 | CIF | Li Nb O3 | R 3 c :H | 5.1513; 5.1513; 13.8687 90; 90; 120 | 318.713 | Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography, 2020, 53, 614 |
| 2300667 | CIF | Li Nb O3 | R 3 c :H | 5.1516; 5.1516; 13.869 90; 90; 120 | 318.757 | Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography, 2020, 53, 614 |
| 2300668 | CIF HKL | O24 Si12 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong <i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction Journal of Applied Crystallography, 2020, 53, 1217-1224 |
| 2300669 | CIF HKL | O24 Si12 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Roslova, Maria; Smeets, Stef; Wang, Bin; Thersleff, Thomas; Xu, Hongyi; Zou, Xiaodong <i>InsteaDMatic</i>: towards cross-platform automated continuous rotation electron diffraction Journal of Applied Crystallography, 2020, 53, 1217-1224 |
| 2300670 | CIF HKL | C42 H28 | C m c e | 26.7958; 7.1586; 14.1598 90; 90; 90 | 2716.1 | Krause, Lennard; Tolborg, Kasper; Grønbech, Thomas Bjørn Egede; Sugimoto, Kunihisa; Iversen, Bo Brummerstedt; Overgaard, Jacob Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector Journal of Applied Crystallography, 2020, 53, 635 |
| 2300671 | CIF HKL | C40 H29 Cl Cu N6 O14 | P -1 | 10.6656; 12.4599; 14.7567 98.635; 101.65; 97.962 | 1869.79 | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. On the Hirshfeld surface for copper(II) atoms in different coordination environments Journal of Applied Crystallography, 2020, 53, 1321-1333 |
| 2300672 | CIF HKL | C6 D12 N4 | I -4 3 m | 7.0195; 7.0195; 7.0195 90; 90; 90 | 345.874 | McMonagle, Charles J.; Allan, David R.; Warren, Mark R.; Kamenev, Konstantin V.; Turner, Gemma F.; Moggach, Stephen A. High-pressure sapphire capillary cell for synchrotron single-crystal X-ray diffraction measurements to 1500 bar Journal of Applied Crystallography, 2020, 53, 1519-1523 |
| 2300673 | CIF HKL Paper | Cu K0.67 O5.33 S1.33 | C 1 2/c 1 | 13.6088; 11.9627; 17.0791 90; 112.45; 90 | 2569.72 | Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities Journal of Applied Crystallography, 2021, 54, 237-250 |
| 2300674 | CIF HKL | Cu K Na O8 S2 | C 1 2/c 1 | 15.9721; 9.4576; 9.0679 90; 93.635; 90 | 1367.02 | Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities Journal of Applied Crystallography, 2021, 54, 237-250 |
| 2300675 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon The advanced treatment of hydrogen bonding in quantum crystallography Journal of Applied Crystallography, 2021, 54 |
| 2300676 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon The advanced treatment of hydrogen bonding in quantum crystallography Journal of Applied Crystallography, 2021, 54 |
| 2300677 | CIF | C8 H17 N3 O5 | P 1 21 1 | 10.224; 4.804; 11.987 90; 101.419; 90 | 577.1 | Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon The advanced treatment of hydrogen bonding in quantum crystallography Journal of Applied Crystallography, 2021, 54 |
| 2300678 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon The advanced treatment of hydrogen bonding in quantum crystallography Journal of Applied Crystallography, 2021, 54 |
| 2300679 | CIF | Al6.31 B4.94 | R -3 :H | 18.3464; 18.3464; 8.9241 90; 90; 120 | 2601.3 | Malkin, Alexander I.; Chernyshev, Vladimir V.; Ryazantseva, Alena A.; Vasiliev, Alexander L.; Nickolsky, Maximilian S.; Shiryaev, Andrei A. Formation and characterization of an Al-rich metastable phase in the Al‒B phase diagram Journal of Applied Crystallography, 2021, 54 |
| 2300680 | CIF HKL Paper | C14 H10 N2 O4 | P 1 21/n 1 | 3.8006; 11.2125; 27.4464 90; 92.272; 90 | 1168.69 | Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R. An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction Journal of Applied Crystallography, 2021, 54, 1349-1359 |
| 2300681 | CIF HKL | C14 H10 N2 O4 | P 1 21/n 1 | 3.8006; 11.2165; 27.4621 90; 92.271; 90 | 1169.77 | Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R. An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction Journal of Applied Crystallography, 2021, 54, 1349-1359 |
| 2300682 | CIF HKL | C14 H10 N2 O4 | P 1 21/n 1 | 3.7999; 11.2238; 27.4932 90; 92.277; 90 | 1171.64 | Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R. An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction Journal of Applied Crystallography, 2021, 54, 1349-1359 |
| 2300683 | CIF HKL | C8 H5 K0.992 O4 | P c a 21 | 9.6017; 13.3049; 6.4665 90; 90; 90 | 826.09 | Petrenko, Arsen; Novikova, Nataliya; Blagov, Alexander; Kulikov, Anton; Pisarevskii, Yury; Verin, Igor; Kovalchuk, Michail Lateral deformations of a crystal of potassium acid phthalate in an external electric field Journal of Applied Crystallography, 2021, 54, 1317-1326 |
| 2300684 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model Journal of Applied Crystallography, 2021, 54, 1234-1243 |
| 2300685 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model Journal of Applied Crystallography, 2021, 54, 1234-1243 |
| 2300686 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model Journal of Applied Crystallography, 2021, 54, 1234-1243 |
| 2300687 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model Journal of Applied Crystallography, 2021, 54, 1234-1243 |
| 2300688 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model Journal of Applied Crystallography, 2021, 54, 1234-1243 |
| 2300689 | CIF HKL | Al63.643 Cr10 Cu18.381 | P 63 | 10.9995; 10.9995; 12.698 90; 90; 120 | 1330.5 | Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase Journal of Applied Crystallography, 2022, 55, 74-79 |
| 2300690 | CIF | Ca2.86 H7.67 O10.92 Si2.2 | P 1 | 200; 3.675; 100 90; 90; 90 | 73500 | Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried Structure modeling and quantitative X-ray diffraction of C-(A)-S-H Journal of Applied Crystallography, 2022, 55 |
| 2300691 | CIF | C48 H60 N24 O8 Zn6 | P 1 | 16.85; 16.85; 8.425 90; 90; 90 | 2392.05 | Metz, Peter C.; Purdy, Stephen C.; Ryder, Matthew R.; Ganesan, Arvind; Nair, Sankar; Page, Katharine Detailed total scattering analysis of disorder in ZIF-8 Journal of Applied Crystallography, 2021, 54, 759-767 |
| 2300692 | CIF HKL Paper | C42 H93 F21 N18 O32 Pr4 | C 1 2/c 1 | 27.6254; 12.7853; 23.5496 90; 98.4791; 90 | 8226.8 | Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution Journal of Applied Crystallography, 2022, 55, 890-900 |
| 2300693 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.53; 11.9606; 5.535 90; 104.508; 90 | 354.42 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
| 2300694 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.5124; 11.9341; 5.5167 90; 104.413; 90 | 351.5 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
| 2300695 | CIF HKL | C6 H10 O5 | P 21 21 21 | 6.676; 7.531; 13.279 90; 90; 90 | 667.6 | Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng Growth and characterization of large centimetre-size levoglucosan single crystals Journal of Applied Crystallography, 2023, 56, 468-476 |
| 2300696 | CIF HKL | C6 H10 O5 | P 21 21 21 | 6.6601; 7.5006; 13.26 90; 90; 90 | 662.4 | Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng Growth and characterization of large centimetre-size levoglucosan single crystals Journal of Applied Crystallography, 2023, 56, 468-476 |
| 2300697 | CIF HKL | C6 H10 O5 | P 21 21 21 | 6.6457; 7.476; 13.26 90; 90; 90 | 658.8 | Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng Growth and characterization of large centimetre-size levoglucosan single crystals Journal of Applied Crystallography, 2023, 56, 468-476 |
| 2300698 | CIF HKL | B Bi4 Cl O7 | I m m m | 3.9277; 13.0981; 3.8808 90; 90; 90 | 199.649 | Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides Journal of Applied Crystallography, 2023, 56, 589-596 |
| 2300699 | CIF HKL | B Bi4 Br O7 | I m m m | 3.9345; 13.2499; 3.9182 90; 90; 90 | 204.263 | Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides Journal of Applied Crystallography, 2023, 56, 589-596 |
| 2300700 | CIF | C2 Ba N4 Zn | P b c a | 12.0252; 11.9873; 6.8715 90; 90; 90 | 990.52 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
| 2300701 | CIF | C2 Ba N4 Zn | P b c a | 11.9532; 11.9452; 6.8555 90; 90; 90 | 978.85 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
| 2300702 | CIF | C | F d -3 m :2 | 3.566636; 3.566636; 3.566636 90; 90; 90 | 45.3708 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
| 2300703 | CIF | C | F d -3 m :2 | 3.571622; 3.571622; 3.571622 90; 90; 90 | 45.5613 | Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard POWTEX visits POWGEN. Journal of applied crystallography, 2023, 56, 633-642 |
| 2300704 | CIF | Mn Te | P 63/m m c | 4.193; 4.193; 6.752 90; 90; 120 | 102.805 | Hamilton, Parker K.; Moya, Jaime M.; Hallas, Alannah M.; Morosan, E.; Baral, Raju; Frandsen, Benjamin A. Symmetry-mode analysis for local structure investigations using pair distribution function data Journal of Applied Crystallography, 2023, 56 |
| 2300705 | CIF | H8 Mg6 O18 Si4 | C 1 c 1 | 5.3418; 9.1166; 14.697 90; 93.91; 90 | 714.06 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300706 | CIF | H8 Mg4 Ni2 O18 Si4 | C 1 c 1 | 5.3444; 9.1074; 14.7086 90; 94.18; 90 | 714.02 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300707 | CIF | H8 Mg3 Ni3 O18 Si4 | C 1 c 1 | 5.3406; 9.0991; 14.7019 90; 94.44; 90 | 712.29 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300708 | CIF | H8 Mg2 Ni4 O18 Si4 | C 1 c 1 | 5.3415; 9.1095; 14.6976 90; 94.31; 90 | 713.14 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300709 | CIF | H8 Ni6 O18 Si4 | C 1 c 1 | 5.3411; 9.0924; 14.6494 90; 94.86; 90 | 708.87 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300710 | CIF HKL | C20 H14 N16 O20 | P -1 | 4.9325; 6.8773; 22.462 84.728; 84.78; 86.014 | 754.2 | Wang, Zhiqiang; Xu, Jinjiang; Zhao, Zhi; Zhang, Zhenqi; Tong, Yi A novel energetic cocrystal of DATNBI/TNT with low sensitivity and an unexpected polymorphic transition Journal of Applied Crystallography, 2023, 56 |
| 2300711 | CIF Paper | C11 H10 O2 S | P 21 21 21 | 5.86; 8.933; 18.341 90; 90; 90 | 960.1 | Graw, Nico; Ruth, Paul Niklas; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation. Journal of applied crystallography, 2023, 56, 1315-1321 |
| 2300712 | CIF HKL Paper | C4 Co Sc3 | I m m m | 3.383; 4.373; 11.991 90; 90; 90 | 177.39 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300713 | CIF HKL | C4 Co Sc3 | I m m m | 3.383; 4.37; 11.982 90; 90; 90 | 177.14 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300714 | CIF HKL | Pt9 Sc2 Si3 | C 1 2/c 1 | 12.976; 7.521; 9.702 90; 116.4; 90 | 848.1 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300715 | CIF HKL | Pt9 Sc2 Si3 | C 1 2/c 1 | 12.958; 7.52; 9.711 90; 116.47; 90 | 847.1 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300716 | CIF HKL | H4 Na2 O6 W | P b c a | 8.441; 10.569; 13.799 90; 90; 90 | 1231 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300717 | CIF HKL | H4 Na2 O6 W | P b c a | 8.434; 10.553; 13.792 90; 90; 90 | 1227.5 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300718 | CIF HKL | C3 H7 N O2 | P 21 21 21 | 5.789; 5.958; 12.286 90; 90; 90 | 423.8 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300719 | CIF HKL | C3 H7 N O2 | P 21 21 21 | 5.784; 5.953; 12.272 90; 90; 90 | 422.6 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300720 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.854; 8.929; 18.328 90; 90; 90 | 958 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300721 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.86; 8.933; 18.341 90; 90; 90 | 960.1 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300722 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.85; 8.924; 18.321 90; 90; 90 | 956.5 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300723 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.854; 8.929; 18.328 90; 90; 90 | 958 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300724 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.86; 8.933; 18.341 90; 90; 90 | 960.1 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300725 | CIF HKL | C11 H10 O2 S | P 21 21 21 | 5.85; 8.924; 18.321 90; 90; 90 | 956.5 | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. Journal of applied crystallography, 2023, 56, 1322-1329 |
| 2300726 | CIF HKL | Fe2 Mn3 Si3 | P 63/m c m | 6.8534; 6.8534; 4.7556 90; 90; 120 | 193.441 | Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>. Journal of applied crystallography, 2022, 55, 1164-1172 |
| 2300727 | CIF HKL | C16 H10 Br2 O | P n a 21 | 8.226; 13.408; 12.222 90; 90; 90 | 1348 | Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M. Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan Journal of Applied Crystallography, 2024, 57 |
| 2300728 | CIF HKL | C16 H10 Br2 O | P n m a | 6.217; 30.11; 7.18 90; 90; 90 | 1344.1 | Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M. Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan Journal of Applied Crystallography, 2024, 57 |
| 2300729 | CIF HKL | C16 H10 Br2 O | P 21 21 21 | 3.9774; 10.7746; 31.2387 90; 90; 90 | 1338.73 | Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M. Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan Journal of Applied Crystallography, 2024, 57 |
| 2300730 | CIF | C8 H11 F2 N3 O | P n a 21 | 15.0815; 24.6147; 5.0146 90; 90; 90 | 1861.55 | Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>. Journal of applied crystallography, 2024, 57, 161-174 |
| 2300731 | CIF | C16 H16 Co F6 N4 O4 S2 | P -1 | 7.9999; 9.3718; 14.7362 82.625; 81.527; 81.726 | 1074.89 | Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>. Journal of applied crystallography, 2024, 57, 161-174 |
| 2300732 | CIF | C4 H12 Ca O10 | P 21 21 21 | 9.1718; 9.5882; 10.5502 90; 90; 90 | 927.8 | Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>. Journal of applied crystallography, 2024, 57, 161-174 |
| 2300733 | CIF | C24 H44 Os P2 | P 1 21/n 1 | 10.8918; 13.7619; 17.0714 90; 98.563; 90 | 2530.34 | Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>. Journal of applied crystallography, 2024, 57, 161-174 |
| 2300734 | CIF | Ga H O2 | P n m a | 9.78216; 2.97127; 4.51938 90; 90; 90 | 131.358 | Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction Journal of Applied Crystallography, 2024, 57 |
| 2300735 | CIF | Ga2 O3 | R -3 c :H | 4.99945; 4.99945; 13.50095 90; 90; 120 | 292.24 | Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction Journal of Applied Crystallography, 2024, 57 |
| 2300736 | CIF HKL Paper | Ga Nd | C m c m | 4.4329; 11.246; 4.1735 90; 90; 90 | 208.06 | Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich Revisiting the hydrogenation behavior of NdGa and its hydride phases. Journal of applied crystallography, 2024, 57, 248-257 |
| 2300737 | CIF HKL Paper | Ga Nd | C m c m | 4.1855; 11.9137; 4.1857 90; 90; 90 | 208.72 | Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich Revisiting the hydrogenation behavior of NdGa and its hydride phases. Journal of applied crystallography, 2024, 57, 248-257 |
| 2300738 | CIF HKL Paper | Ga Nd | C m c m | 4.16; 12.0374; 4.1825 90; 90; 90 | 209.44 | Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich Revisiting the hydrogenation behavior of NdGa and its hydride phases. Journal of applied crystallography, 2024, 57, 248-257 |
| 2300739 | CIF HKL Paper | Ga Nd | C m c m | 12.338; 12.271; 4.1691 90; 90; 90 | 631.2 | Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich Revisiting the hydrogenation behavior of NdGa and its hydride phases. Journal of applied crystallography, 2024, 57, 248-257 |
| 2300740 | CIF HKL Paper | Ga3 Nd3 | C m c m | 12.332; 12.264; 4.1782 90; 90; 90 | 631.91 | Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich Revisiting the hydrogenation behavior of NdGa and its hydride phases. Journal of applied crystallography, 2024, 57, 248-257 |
| 2300741 | CIF | C4 Ca3 K2 O12 | P n m a | 7.5371; 16.1777; 8.7793 90; 90; 90 | 1070.49 | Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D. Coupling between cation and anion disorder in β-K2Ca3(CO3)4 Journal of Applied Crystallography, 2024, 57 |
| 2300742 | CIF | C4 Ca2.818824 K2 Mg0.181176 O12 | P n m a | 7.5404; 16.0962; 8.7321 90; 90; 90 | 1059.83 | Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D. Coupling between cation and anion disorder in β-K2Ca3(CO3)4 Journal of Applied Crystallography, 2024, 57 |
| 2300743 | CIF | Ca0.45 O3 Pb0.55 Ti | P n a 21 | 7.777666; 5.518537; 5.527827 90; 90; 90 | 237.262 | Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies Journal of Applied Crystallography, 2024, 57, 808-817 |
| 2300744 | CIF | C Bi2 O5 | I 4/m m m | 3.867; 3.867; 13.689 90; 90; 90 | 204.701 | Nomine, A. V.; Ghanbaja, J.; Redjaimia, A.; Belmonte, T. Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water Journal of Applied Crystallography, 2024, 57 |
| 5000035 | CIF | O2 Si | P 32 2 1 | 4.91239; 4.91239; 5.40385 90; 90; 120 | 112.9 | Will, G; Bellotto, M; Parrish, W; Hart, M Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data. Journal of Applied Crystallography, 1988, 21, 182-191 |
| 5000219 | CIF | As | R -3 m :H | 3.7597; 3.7597; 10.4412 90; 90; 120 | 127.8 | Schiferl, D; Barrett, C S The Crystal Structure of Arsenic at 4.2, 78 and 299K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 6000209 | CIF | C12 H16 Mo5 N2 O16 | C 1 2/c 1 | 28.691; 5.6865; 14.368 90; 113.22; 90 | 2154.28 | Lasocha, W.; Schenk, H. Crystal structure of anilinium pentamolybdate from powder diffraction data. The solution of the crystal structure by direct methods package powsim Journal of Applied Crystallography, 1997, 30, 909-913 |
| 6000256 | CIF | C7 H5 Na O3 | P 1 21 1 | 16.0608; 5.3829; 3.6383 90; 92.869; 90 | 314.15 | Dinnebier, R. E.; von Dreele, R.; Stephens, P. W.; Jelonek, S.; Sieler, J. Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction: application of a phenomenological model of anisotropic peak width Journal of Applied Crystallography, 1999, 32, 761-769 |
| 6000278 | CIF | C9 H9 N3 O2 S | P 1 21/n 1 | 14.3296; 15.2733; 10.4428 90; 91.052; 90 | 2285.13 | Chan, F. C.; Anwar, J.; Cernik, R.; Barnes, P.; Wilson, R. M. Ab initio structure determination of sulfathiazole polymorph v from synchrotron X-ray powder diffraction data Journal of Applied Crystallography, 1999, 32, 436-441 |
| 6000344 | CIF | C56 H50 O9 S3 | P 1 21/c 1 | 9.702; 18.623; 13.676 90; 91.18; 90 | 2470.46 | Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N. Crystal structures of a solvated and unsolvated sulfone cyclic oligomer Journal of Applied Crystallography, 1999, 32, 15-20 |
| 6000345 | CIF | C54 H44 O8 S2 | P 1 21/c 1 | 9.5703; 18.7582; 13.3945 90; 92.684; 90 | 2401.96 | Kaduk, J. A.; Cahill, P. J.; Venkateshwaran, L. N. Crystal structures of a solvated and unsolvated sulfone cyclic oligomer Journal of Applied Crystallography, 1999, 32, 15-20 |
| 6000386 | CIF | O4 S Sr | P n m a | 8.35929; 5.35083; 6.86939 90; 90; 90 | 307.24 | Burger, K.; Cox, D.; Papoular, R.; Prandl, W. The application of resonant scattering techniques to ab initio structure solution from powder data using SrSO4 as a test case Journal of Applied Crystallography, 1998, 31, 789-797 |
| 6000566 | CIF | D2 Mg O2 | P -3 m 1 | 3.1455; 3.1455; 4.7646 90; 90; 120 | 40.83 | Partin, D. E.; Okeeffe, M.; Vondreele, R. B. Crystal-structure and profile fitting of Mg(OD)2 by time-of-flight neutron-diffraction Journal of Applied Crystallography, 1994, 27, 581-584 |
| 6000665 | CIF | B2 H3 Li O5 | P n n a | 9.7984; 8.2759; 9.6138 90; 90; 90 | 779.59 | Louer, D.; Louer, M.; Touboul, M. Crystal-structure determination of lithium diborate hydrate, LIB2O3(OH).H2O, from X-ray-powder diffraction data collected with a curved position-sensitive detector Journal of Applied Crystallography, 1992, 25, 617-623 |
| 6000679 | CIF | H8 O9 S Zr | P 1 21/c 1 | 8.3645; 15.1694; 5.4427 90; 103.145; 90 | 672.5 | Gascoigne, D.; Tarling, S. E.; Barnes, P.; Pygall, C. F.; Benard, P.; Louer, D. Ab-initio structure determination of ZR(OH)2SO4.3H2O using conventional monochromatic X-ray-powder diffraction Journal of Applied Crystallography, 1994, 27, 399-405 |
| 9009650 | CIF | As | R 3 m :H | 3.7597; 3.7597; 10.4412 90; 90; 120 | 127.817 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009651 | CIF | As | R -3 m :H | 3.7595; 3.7595; 10.4573 90; 90; 120 | 128 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009652 | CIF | As | R -3 m :H | 3.7598; 3.7598; 10.5475 90; 90; 120 | 129.125 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009653 | CIF | Sb | R -3 m :H | 4.3007; 4.3007; 11.222 90; 90; 120 | 179.754 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009654 | CIF | Sb | R -3 m :H | 4.3012; 4.3012; 11.232 90; 90; 120 | 179.956 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009655 | CIF | Sb | R -3 m :H | 4.3084; 4.3084; 11.274 90; 90; 120 | 181.234 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 299 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009656 | CIF | Bi | R -3 m :H | 4.533; 4.533; 11.797 90; 90; 120 | 209.93 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009657 | CIF | Bi | R -3 m :H | 4.535; 4.535; 11.814 90; 90; 120 | 210.418 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 78 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009658 | CIF | Bi | R -3 m :H | 4.546; 4.546; 11.862 90; 90; 120 | 212.299 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 298 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9009659 | CIF | N Na O3 | R -3 c :H | 5.0718; 5.0718; 16.8336 90; 90; 120 | 375.001 | Ahtee, M.; Nurmela, M.; Suortti, P.; Jarvinen, M. Correction for preferred orientation in Rietveld refinement Sample: II, refined with correction for texture Note: Synthetic sample Journal of Applied Crystallography, 1989, 22, 261-268 |
| 9009660 | CIF | Al3.2 Ca0.78 H7.5 K1.22 Na0.41 O21.13 Si4.8 | P 1 21/m 1 | 9.8881; 14.404; 8.6848 90; 124.271; 90 | 1022.2 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Vallerano, Rome, Italy Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009661 | CIF | Al3.48 Ca1.74 H70 O42.15 Si8.52 | R -3 m :R | 9.39692; 9.39692; 9.39692 93.866; 93.866; 93.866 | 823.834 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009662 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.53573; 13.03129; 7.17536 90; 115.985; 90 | 717.44 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Latera, Viterbo, Italy Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009663 | CIF | Al1.02 Ca0.02 Na0.98 O8 Si2.98 | C -1 | 8.14588; 12.7973; 7.15775 94.2451; 116.6; 87.8 | 665.342 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009664 | CIF | Ca Fe0.25 Mg0.74 O6 Si2 | C 1 2/c 1 | 9.7504; 8.9015; 5.27444 90; 106.016; 90 | 440.016 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009665 | CIF | Al4 K O12 Si2 | C 1 2/c 1 | 5.2226; 9.0183; 20.143 90; 95.665; 90 | 944.081 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009666 | CIF | O2 Si | P 31 2 1 | 4.9158; 4.9158; 5.4091 90; 90; 120 | 113.199 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009667 | CIF | C Ca O3 | R -3 c :H | 4.991; 4.991; 17.068 90; 90; 120 | 368.204 | Sitepu, H.; O'Connor B H; Li, D. Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: March model Journal of Applied Crystallography, 2005, 38, 158-167 |
| 9009668 | CIF | C Ca O3 | R -3 c :H | 4.992; 4.992; 17.069 90; 90; 120 | 368.373 | Sitepu, H.; O'Connor B H; Li, D. Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: GSH model Journal of Applied Crystallography, 2005, 38, 158-167 |
| 9009669 | CIF | Mo O3 | P b n m | 3.9616; 13.856; 3.6978 90; 90; 90 | 202.979 | Sitepu, H.; O'Connor B H; Li, D. Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: GSH model Journal of Applied Crystallography, 2005, 38, 158-167 |
| 9009670 | CIF | Mo O3 | P b n m | 3.9621; 13.855; 3.6986 90; 90; 90 | 203.034 | Sitepu, H.; O'Connor B H; Li, D. Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders Note: March model Journal of Applied Crystallography, 2005, 38, 158-167 |
| 9011997 | CIF | C | F d -3 m :1 | 3.566986; 3.566986; 3.55986 90; 90; 90 | 45.293 | Hom, T.; Kiszenick, W.; Post, B. Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C Journal of Applied Crystallography, 1975, 8, 457-458 |
| 9011998 | CIF | Si | F d -3 m :1 | 5.430941; 5.430941; 5.430941 90; 90; 90 | 160.186 | Hom, T.; Kiszenick, W.; Post, B. Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C Journal of Applied Crystallography, 1975, 8, 457-458 |
| 9011999 | CIF | Ge | F d -3 m :1 | 5.65782; 5.65782; 5.65782 90; 90; 90 | 181.112 | Hom, T.; Kiszenick, W.; Post, B. Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C Journal of Applied Crystallography, 1975, 8, 457-458 |
| 9012000 | CIF | Cl3 Fe | R -3 :H | 6.065; 6.065; 17.42 90; 90; 120 | 554.933 | Hashimoto, S.; Forster, K.; Moss, S. C. Structure refinement of an FeCl3 crystal using a thin plate sample Journal of Applied Crystallography, 1988, 22, 173-180 |
| 9014016 | CIF | Ge O2 | P 32 2 1 | 4.9113; 4.9113; 5.6099 90; 90; 120 | 117.187 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014140 | CIF | Ge O2 | P 32 2 1 | 4.9097; 4.9097; 5.6249 90; 90; 120 | 117.424 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014264 | CIF | Ge O2 | P 32 2 1 | 4.8546; 4.8546; 5.5943 90; 90; 120 | 114.178 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014297 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9014320 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9014327 | CIF | Ge O2 | P 32 2 1 | 4.831; 4.831; 5.568 90; 90; 120 | 112.539 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9014652 | CIF | Ge O2 | P 32 2 1 | 4.9858; 4.9858; 5.6473 90; 90; 120 | 121.574 | Yamanaka, T.; Ogata, K. Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure Journal of Applied Crystallography, 1991, 24, 111-118 |
| 9015074 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015142 | CIF | C H7 Cl Mg2 O7 | R 3 c :H | 23.14422; 23.14422; 7.22333 90; 90; 120 | 3350.84 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite Journal of Applied Crystallography, 2006, 39, 739-744 |
| 9015192 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015658 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015849 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016435 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9017489 | CIF | Fe2.668 O4 | P 43 3 2 | 8.3474; 8.3474; 8.3474 90; 90; 90 | 581.639 | Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P. Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies Journal of Applied Crystallography, 1995, 28, 141-145 |
| 9017490 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.764; 10.229; 5.996 90; 90; 90 | 292.191 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017491 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.7645; 10.23467; 5.99727 90; 90; 90 | 292.445 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017492 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.762; 10.235; 5.998 90; 90; 90 | 292.337 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017493 | CIF | Fe2.645 O3.99 | P 43 3 2 | 8.3364; 8.3364; 8.3364 90; 90; 90 | 579.343 | 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, 2014, 47, 414-420 |
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