Crystallography Open Database
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Result : There are 20 entries in the selection
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Searching journal of publication like 'Journal of Applied Crystallography' volume of publication is 41
COD ID: 2300189 | |
CIF file | Formula: - Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35 - Comments: Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon Structural characterization of the clay mineral illite-1M Journal of Applied Crystallography 41(2) (2008) 402-415 Space group: C 1 2/m 1 Cell volume: 461.796 Cell parameters: 5.189; 8.953; 10.129; 90; 101.11; 90; |
COD ID: 2300190 | |
CIF file | Formula: - Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35 - Comments: Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon Structural characterization of the clay mineral illite-1M Journal of Applied Crystallography 41(2) (2008) 402-415 Space group: C 1 2/m 1 Cell volume: 464.5 Cell parameters: 5.197; 8.961; 10.159; 90; 100.97; 90; |
COD ID: 2300191 | |
CIF file | Formula: - Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35 - Comments: Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon Structural characterization of the clay mineral illite-1M Journal of Applied Crystallography 41(2) (2008) 402-415 Space group: C 1 2/m 1 Cell volume: 459.5 Cell parameters: 5.1977; 9.014; 9.99; 90; 100.95; 90; |
COD ID: 2300192 | |
CIF file | Formula: - Al2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35 - Comments: Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon Structural characterization of the clay mineral illite-1M Journal of Applied Crystallography 41(2) (2008) 402-415 Space group: C 1 2/m 1 Cell volume: 456.8 Cell parameters: 5.167; 8.983; 10.01; 90; 100.5; 90; |
COD ID: 2300193 | |
CIF file | Formula: - C50 H64 O16 - Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301 Space group: I 1 2 1 Cell volume: 4715.1 Cell parameters: 21.1388; 9.1628; 24.5916; 90; 98.1462; 90; |
COD ID: 2300194 | |
CIF file | Formula: - C50 H64 O16 - Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301 Space group: I 1 2 1 Cell volume: 4622.43 Cell parameters: 21.0262; 9.1138; 24.3796; 90; 98.3396; 90; |
COD ID: 2300195 | |
CIF file | Formula: - C50 H64 O16 - Comments: Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto <i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method Journal of Applied Crystallography 41(2) (2008) 292-301 Space group: I 1 2 1 Cell volume: 4525.95 Cell parameters: 20.9107; 9.0536; 24.2008; 90; 98.9412; 90; |
COD ID: 2300196 | |
CIF file | Formula: - Na O8 W2 Y0.95 Yb0.05 - Comments: Fan, Jiandong; Zhang, Huaijin; Yu, Wentao; Yu, Haohai; Wang, Jiyang; Jiang, Minhua A Yb^3+^-doped NaY(WO~4~)~2~ crystal grown by the Czochralski technique Journal of Applied Crystallography 41(3) (2008) 584-591 Space group: I 41/a :2 Cell volume: 305.57 Cell parameters: 5.2039; 5.2039; 11.2838; 90; 90; 90; |
COD ID: 2300197 | |
CIF file | Formula: - F7 K2 Ta - Comments: Smrčok, Ľubomír; Brunelli, Michela; Boča, Miroslav; Kucharík, Marian Structure of K~2~TaF~7~ at 993K: the combined use of synchrotron powder data and solid-state DFT calculations Journal of Applied Crystallography 41(3) (2008) 634-636 Space group: P n m a Cell volume: 727.83 Cell parameters: 10.0731; 5.9456; 12.1527; 90; 90; 90; |
COD ID: 2300198 | |
CIF file | Formula: ? Comments: Morgenroth, Wolfgang; Overgaard, Jacob; Clausen, Henrik F.; Svendsen, Helle; Jørgensen, Mads R. V.; Larsen, Finn K.; Iversen, Bo B. Helium cryostat synchrotron charge densities determined using a large CCD detector ‒ the upgraded beamline D3 at DESY Journal of Applied Crystallography 41(5) (2008) 846-853 Space group: P -1 Cell volume: 440.26 Cell parameters: 6.217; 6.985; 10.506; 94.686; 100.568; 98.884; |
COD ID: 2300199 | |
CIF file | Formula: - Fe0.2 Mg0.8 O - Comments: Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A. Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures Journal of Applied Crystallography 41(5) (2008) 886-896 Space group: F m -3 m Cell volume: 74.073 Cell parameters: 4.19971; 4.19971; 4.19971; 90; 90; 90; |
COD ID: 2300200 | |
CIF file | Formula: - Fe - Comments: Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A. Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures Journal of Applied Crystallography 41(5) (2008) 886-896 Space group: I m -3 m Cell volume: 22.914 Cell parameters: 2.8403; 2.84034; 2.84034; 90; 90; 90; |
COD ID: 2300201 | |
CIF file | Formula: - Fe0.3 Mg0.7 O - Comments: Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A. Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures Journal of Applied Crystallography 41(5) (2008) 886-896 Space group: F m -3 m Cell volume: 73.537 Cell parameters: 4.1896; 4.18955; 4.18955; 90; 90; 90; |
COD ID: 2300202 | |
CIF file | Formula: - Fe - Comments: Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A. Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures Journal of Applied Crystallography 41(5) (2008) 886-896 Space group: I m -3 m Cell volume: 22.603 Cell parameters: 2.8274; 2.8274; 2.8274; 90; 90; 90; |
COD ID: 2300203 | |
CIF file | Formula: - O2 Zr - Comments: Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A. Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures Journal of Applied Crystallography 41(5) (2008) 886-896 Space group: P 1 21/c 1 Cell volume: 135.5 Cell parameters: 5.213; 4.967; 5.318; 90; 100.16; 90; |
COD ID: 2300204 | |
CIF file | Formula: - C7 H6 Cl N3 O4 S2 - Comments: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. A differential thermal expansion approach to crystal structure determination from powder diffraction data Journal of Applied Crystallography 41(6) (2008) 1089-1094 Space group: P 1 Cell volume: 260.22 Cell parameters: 4.8481; 6.359; 8.9; 74.49; 83.9; 80.53; |
COD ID: 2300205 | |
CIF file | Formula: - C7 H6 Cl N3 O4 S2 - Comments: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. A differential thermal expansion approach to crystal structure determination from powder diffraction data Journal of Applied Crystallography 41(6) (2008) 1089-1094 Space group: P 1 Cell volume: 262.39 Cell parameters: 4.8619; 6.377; 8.926; 74.4; 83.93; 80.56; |
COD ID: 2300206 | |
CIF file | Formula: - C7 H6 Cl N3 O4 S2 - Comments: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. A differential thermal expansion approach to crystal structure determination from powder diffraction data Journal of Applied Crystallography 41(6) (2008) 1089-1094 Space group: P 1 Cell volume: 264.01 Cell parameters: 4.8707; 6.3951; 8.9448; 74.368; 83.786; 80.459; |
COD ID: 2300207 | |
CIF file | Formula: - C7 H6 Cl N3 O4 S2 - Comments: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. A differential thermal expansion approach to crystal structure determination from powder diffraction data Journal of Applied Crystallography 41(6) (2008) 1089-1094 Space group: P 1 Cell volume: 264.79 Cell parameters: 4.8737; 6.4046; 8.9548; 74.324; 83.751; 80.449; |
COD ID: 2300208 | |
CIF file | Formula: - C7 H6 Cl N3 O4 S2 - Comments: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. A differential thermal expansion approach to crystal structure determination from powder diffraction data Journal of Applied Crystallography 41(6) (2008) 1089-1094 Space group: P 1 Cell volume: 265.63 Cell parameters: 4.8786; 6.4126; 8.9665; 74.266; 83.693; 80.445; |
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