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 |
|---|---|---|---|---|---|---|
| 2300035 | CIF | Fe Ni0.5 O4 P | P 1 21/c 1 | 5.98701; 4.719891; 10.35657 90; 90.8909; 90 | 292.621 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300036 | CIF | Co0.5 Fe O4 P | P 1 21/c 1 | 5.98701; 4.719891; 10.35657 90; 90.8909; 90 | 292.621 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300037 | CIF | Cu0.5 Fe O4 P | P 1 21/c 1 | 5.98701; 4.719891; 10.35657 90; 90.8909; 90 | 292.621 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300038 | CIF | Ni3 O8 P2 | P 1 21/c 1 | 5.83104; 4.69778; 10.1098 90; 91.1288; 90 | 276.883 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300039 | CIF | Ni2 O7 P2 | B 21/c | 13.1459; 8.2711; 8.9714 90; 104.949; 90 | 942.5 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300040 | CIF | Fe Ni0.5 O4 P | P 1 21/c 1 | 5.994351; 4.724935; 10.369383 90; 90.891; 90 | 293.656 | Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Determination of the cation distribution in Fe~2~Ni(PO~4~)~2~ using isotopic substitution and powder neutron diffraction Journal of Applied Crystallography, 2003, 36, 1361-1367 |
| 2300041 | CIF | Ag7 Cl O12 | F m -3 m | 9.955; 9.955; 9.955 90; 90; 90 | 986.5 | Journal of Applied Crystallography, 2004, 37, 318-324 |
| 2300042 | CIF | C2 H4 O2 | P 1 21/n 1 | 3.9447; 13.028; 5.6407 90; 93.177; 90 | 289.44 | Dawson, Alice; Allan, David R.; Parsons, Simon; Ruf, Michael Use of a CCD diffractometer in crystal structure determinations at high pressure Journal of Applied Crystallography, 2004, 37, 410-416 |
| 2300043 | CIF | C19 H13 N5 O5 | P 1 21 1 | 11.72; 6.831; 11.045 90; 94.38; 90 | 881.7 | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A. Unexpected molecular structure from laboratory powder diffraction data Journal of Applied Crystallography, 2002, 35, 669-673 |
| 2300044 | CIF | C21 H17 N5 O7 | P 21 21 21 | 22.788; 13.018; 6.92 90; 90; 90 | 2052.8 | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A. Unexpected molecular structure from laboratory powder diffraction data Journal of Applied Crystallography, 2002, 35, 669-673 |
| 2300045 | CIF | C20 H15 N5 O5 | P 1 21/c 1 | 8.676; 18.56; 12.098 90; 90.38; 90 | 1948.1 | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A. Unexpected molecular structure from laboratory powder diffraction data Journal of Applied Crystallography, 2002, 35, 669-673 |
| 2300046 | CIF | C6 H14 O6 | P 21 21 2 | 24.30122; 20.57261; 4.86719 90; 90; 90 | 2433.3 | Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction Journal of Applied Crystallography, 2004, 37, 766-772 |
| 2300047 | CIF HKL | C18 H18 Fe O | C 1 2 1 | 29.033; 5.943; 16.753 90; 90.562; 90 | 2890.5 | T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji A wide-bandpass multilayer monochromator and its application to the determination of absolute structure Journal of Applied Crystallography, 2004, 37, 136-142 |
| 2300048 | CIF HKL | C18 H18 Fe O | C 1 2 1 | 29.042; 5.946; 16.753 90; 90.587; 90 | 2892.8 | T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji A wide-bandpass multilayer monochromator and its application to the determination of absolute structure Journal of Applied Crystallography, 2004, 37, 136-142 |
| 2300049 | CIF | Ce0.4 Gd0.6 O1.7 | I a -3 | 10.8542; 10.8542; 10.8542 90; 90; 90 | 1278.77 | V. Grover; S. N. Achary; A. K. Tyagi Structural analysis of excess-anion C-type rare earth oxide: a case study with Gd~1{-~<i>x</i>}Ce~<i>x~</i>O~1.5+<i>x~/2</i> (<i>x</i> = 0.20 and 0.40) Journal of Applied Crystallography, 2003, 36, 1082-1084 |
| 2300050 | CIF | Ce0.2 Gd0.8 O1.6 | I a -3 | 10.8488; 10.8488; 10.8488 90; 90; 90 | 1276.87 | V. Grover; S. N. Achary; A. K. Tyagi Structural analysis of excess-anion C-type rare earth oxide: a case study with Gd~1{-~<i>x</i>}Ce~<i>x~</i>O~1.5+<i>x~/2</i> (<i>x</i> = 0.20 and 0.40) Journal of Applied Crystallography, 2003, 36, 1082-1084 |
| 2300051 | CIF | C24 H48 B2 F8 N24 Zn | R -3 :H | 10.8429; 10.8429; 31.607 90; 90; 120 | 3218.1 | Hartmunt Spiering; Philipp Gutlich The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ Journal of Applied Crystallography, 2004, 37, 589-595 |
| 2300052 | CIF | C24 H48 B2 F8 Fe N24 | R -3 :H | 10.881; 10.881; 31.48 90; 90; 120 | 3227.8 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ Journal of Applied Crystallography, 2004, 37, 589-595 |
| 2300053 | CIF | C24 H48 B2 F8 Fe N24 | R -3 :H | 10.701; 10.701; 31.9 90; 90; 120 | 3163.5 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ Journal of Applied Crystallography, 2004, 37, 589-595 |
| 2300054 | CIF | C24 H48 B2 F8 Fe0.46 N24 Zn0.54 | R -3 :H | 10.8575; 10.8575; 31.56 90; 90; 120 | 3222 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ Journal of Applied Crystallography, 2004, 37, 589-595 |
| 2300055 | CIF | C24 H48 B2 F8 Fe0.46 N24 Zn0.54 | R -3 :H | 10.7719; 10.7719; 31.763 90; 90; 120 | 3191.8 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~ Journal of Applied Crystallography, 2004, 37, 589-595 |
| 2300056 | CIF | O Pb Sc Ta | F m -3 m | 8.15231; 8.15231; 8.15231 90; 90; 90 | 541.804 | Woodward, P. M.; Baba-Kishi, K. Z. Crystal structures of the relaxor oxide Pb~2~(ScTa)O~6~ in the paraelectric and ferroelectric states Journal of Applied Crystallography, 2002, 35, 233-242 |
| 2300057 | CIF | C32 H53 N3 O6 | ?P? | 61.0155; 11.1836; 5.0827 90; 90; 90 | 3468.3 | Brenner, Simon; McCusker, Lynne B.; Baerlocher, Christian The application of structure envelopes in structure determination from powder diffraction data Journal of Applied Crystallography, 2002, 35, 243-252 |
| 2300058 | CIF | C8 H15 N7 O2 S3 | P 1 21/c 1 | 17.6547; 5.2932; 18.259 90; 123.558; 90 | 1421.91 | Shankland, Kenneth; McBride, Lorraine; David, William I. F.; Shankland, Norman; Steele, Gerald Molecular, crystallographic and algorithmic factors in structure determination from powder diffraction data by simulated annealing Journal of Applied Crystallography, 2002, 35, 443-454 |
| 2300059 | CIF | C14 H11 Cl2 N O2 | C 1 2/c 1 | 20.2906; 6.9952; 20.1137 90; 109.663; 90 | 2688.4 | Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data Journal of Applied Crystallography, 2004, 37, 288-294 |
| 2300060 | CIF | C14 H11 Cl2 N O2 | C 1 2/c 1 | 20.298; 6.993; 20.107 90; 109.6; 90 | 2688.7 | Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data Journal of Applied Crystallography, 2004, 37, 288-294 |
| 2300061 | CIF | C Fe3 | P n m a | 5.08493; 6.73631; 4.514 90; 90; 90 | 154.621 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300062 | CIF | C Fe3 | P n m a | 5.08524; 6.7362; 4.51431 90; 90; 90 | 154.638 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300063 | CIF | C Fe3 | P n m a | 5.08475; 6.7367; 4.51394 90; 90; 90 | 154.622 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300064 | CIF | C Fe3 | P n m a | 5.08442; 6.7376; 4.51384 90; 90; 90 | 154.63 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300065 | CIF | C Fe3 | P n m a | 5.08429; 6.7387; 4.51363 90; 90; 90 | 154.644 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300066 | CIF | C Fe3 | P n m a | 5.08412; 6.7404; 4.51364 90; 90; 90 | 154.678 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300067 | CIF | C Fe3 | P n m a | 5.08394; 6.7418; 4.51359 90; 90; 90 | 154.703 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300068 | CIF | C Fe3 | P n m a | 5.08396; 6.7433; 4.51368 90; 90; 90 | 154.741 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300069 | CIF | C Fe3 | P n m a | 5.08416; 6.7453; 4.51394 90; 90; 90 | 154.802 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300070 | CIF | C Fe3 | P n m a | 5.084; 6.7469; 4.51405 90; 90; 90 | 154.838 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300071 | CIF | C Fe3 | P n m a | 5.08411; 6.7483; 4.51457 90; 90; 90 | 154.891 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300072 | CIF | C Fe3 | P n m a | 5.08426; 6.7498; 4.51509 90; 90; 90 | 154.948 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300073 | CIF | C Fe3 | P n m a | 5.0843; 6.7513; 4.51556 90; 90; 90 | 154.999 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300074 | CIF | C Fe3 | P n m a | 5.0842; 6.753; 4.51621 90; 90; 90 | 155.058 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300075 | CIF | C Fe3 | P n m a | 5.08398; 6.7547; 4.5165 90; 90; 90 | 155.1 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300076 | CIF | C Fe3 | P n m a | 5.08395; 6.7558; 4.51728 90; 90; 90 | 155.151 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300077 | CIF | C Fe3 | P n m a | 5.08369; 6.7574; 4.51789 90; 90; 90 | 155.201 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300078 | CIF | C Fe3 | P n m a | 5.0837; 6.7589; 4.51839 90; 90; 90 | 155.253 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300079 | CIF | C Fe3 | P n m a | 5.08334; 6.7599; 4.51926 90; 90; 90 | 155.295 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300080 | CIF | C Fe3 | P n m a | 5.08324; 6.7615; 4.51937 90; 90; 90 | 155.332 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300081 | CIF | C Fe3 | P n m a | 5.08247; 6.7626; 4.52013 90; 90; 90 | 155.36 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300082 | CIF | C Fe3 | P n m a | 5.08223; 6.7638; 4.52058 90; 90; 90 | 155.396 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300083 | CIF | C Fe3 | P n m a | 5.08134; 6.7655; 4.52039 90; 90; 90 | 155.401 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
| 2300084 | CIF | C Fe3 | P n m a | 5.08071; 6.767; 4.52047 90; 90; 90 | 155.419 | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction Journal of Applied Crystallography, 2004, 37, 82-90 |
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