Crystallography Open Database
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Searching journal of publication like 'Powder Diffraction'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
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6000773 | CIF | C5 H7 N5 O3 | 17.356; 3.528; 11.285 90; 93.23; 90 | 1912.6 | Tettenhorst, R. T.; Gerkin, R. E. X-ray powder diffraction data for ammonium hydrogen (acid) urate, NH4C5H3N4O3 Powder Diffraction, 1999, 14, 305-307 | |
3000000 | CIF | C Ca O3 | A m a 2 | 8.4721; 7.1575; 4.1265 90; 90; 90 | 250.23 | Armel Le Bail; Salim Ouhenia; Daniel Chateigner Microtwinning hypothesis for a more ordered vaterite model Powder Diffraction, 2011, 26, 16-21 |
9017809 | CIF | Ca O4 S | A m m a | 7.00032; 6.99234; 6.24097 90; 90; 90 | 305.487 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
9017810 | CIF | Ca O4 S | A m m a | 7.00071; 6.99274; 6.24125 90; 90; 90 | 305.535 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
9017811 | CIF | Ca O4 S | A m m a | 7.00136; 6.99339; 6.24171 90; 90; 90 | 305.614 | Antao, S. Crystal-structure analysis of four mineral samples of anhydrite, Ca(SO4), using synchrotron high-resolution powder X-ray diffraction data Powder Diffraction, 2011, 26, 326-330 |
1521831 | CIF | C2 Fe5 | C 1 2/c 1 | 11.588; 4.579; 5.059 90; 97.746; 90 | 265.988 | Retief, J.J. Powder diffraction data and Rietveld refinement of Haegg-carbide, chi-(Fe5 C2) Powder Diffraction, 1999, 14, 130-132 |
1525620 | CIF | B2 Pd5 | C 1 2/c 1 | 12.7759; 4.9497; 5.4704 90; 97.049; 90 | 343.316 | Beck, M.; Mittemeijer, E.J.; Ellner, M. Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B Powder Diffraction, 2001, 16, 98-101 |
6000783 | CIF | O12 P3 Pb0.5 Th2 | C 1 2/c 1 | 17.459; 6.8451; 8.1438 90; 101.247; 90 | 954.56 | Elyacoubi, A.; Brochu, R.; Serghini, A.; Louer, M.; Talbi, M. A.; Louer, D. Synthesis and structural study from X-ray powder diffraction of Pb0.5Th2(PO4)(3) Powder Diffraction, 1997, 12, 76-80 |
1513882 | CIF | F5 Fe K2 | C 1 2/m 1 | 13.0919; 5.7311; 7.3114 90; 118.241; 90 | 483.281 | Le Bail, Armel On two new K~2~FeF~5~ forms Powder Diffraction, 2014, 29, 33-41 |
1532688 | CIF | C2 Cl2 O4 Pb2 | C 1 2/m 1 | 5.9411; 5.8714; 9.4212 90; 95.232; 90 | 327.266 | Boudaren, C.; Auffredic, J.P.; Louer, M.; Louer, D. A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2 O4): ab initio structure determination and thermal behaviour Powder Diffraction, 2003, 18, 205-213 |
1539679 | CIF | Cd5 H12 N2 O16 | C 1 2/m 1 | 18.931; 6.858; 5.931 90; 94.85; 90 | 767.258 | Benard, P.; Louer, D.; Louer, M. Solving the crystal structure of Cd5 (O H)8 (N O3)2 (H2 O)2 from powder diffraction data. A comparison with single crystal data Powder Diffraction, 1991, 6, 10-15 |
6000765 | CIF | Co Ge | C 1 2/m 1 | 10.63; 3.8014; 4.9347 90; 100.889; 90 | 195.82 | Audebrand, N.; Ellner, M.; Mittemeijer, E. J. Powder diffraction data for the germanides CoGe and Co5Ge7 Powder Diffraction, 2000, 15, 120-122 |
6000780 | CIF | Cd4 Ge Se6 | C 1 c 1 | 12.847; 7.407; 12.854 90; 109.82; 90 | 1150.7 | Henao, J. A.; Delgado, J. M.; Quintero, M. X-ray powder diffraction data and structural study of Cd4GeSe6 Powder Diffraction, 1998, 13, 202-209 |
9009985 | CIF | Fe2 H O9 Sb Si2 | C 1 m 1 | 5.225; 8.997; 7.78 90; 101.71; 90 | 358.121 | Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N. Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral Powder Diffraction, 1998, 13, 44-49 |
3000001 | CIF | C4 H16 F8 O4 S2 Zr2 | C m c a | 7.8266; 13.5847; 15.6119 90; 90; 90 | 1659.89 | Youping Gao; Armel Le Bail Di-mu-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)] Powder Diffraction, 2010, 25, 329 |
9012499 | CIF | P | C m c e | 3.3199; 10.3678; 4.3154 90; 90; 90 | 148.536 | Crichton, W. A.; Mezouar, M.; Monaco, G.; Falconi, S. Phosphorus: new in situ powder data from large-volume apparatus Locality: synthetic Sample: at P = 1.2 GPa and T = 1100 K Powder Diffraction, 2003, 18, 155-158 |
1507767 | CIF | Al F4 Na | C m c m | 3.6121; 14.952; 5.2692 90; 90; 90 | 284.58 | Le Bail, A Crystal structure of NaAlF4, a new aristotype Powder Diffraction, 2009, 24, 301-305 |
1507770 | CIF | F2.26 Fe0.26 Pb0.74 | C m m m | 5.99259; 5.57807; 11.5208 90; 90; 90 | 385.107 | Le Bail, A The anion-excess fluorite structure of beta-Pb1-xFexF2-x (0.25 < x < 0.27) Powder Diffraction, 2011, 26, 303-307 |
1521294 | CIF | C15.996 H30.666 Co2.666 Cu3.999 N15.996 O15.333 | F m -3 m | 10.032; 10.032; 10.032 90; 90; 90 | 1009.63 | Malecki, G.; Ratuszna, A. Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+) Powder Diffraction, 1999, 14, 25-30 |
1521295 | CIF | C15.996 H30.666 Co2.666 Mn3.999 N15.996 O15.333 | F m -3 m | 10.413; 10.413; 10.413 90; 90; 90 | 1129.09 | Malecki, G.; Ratuszna, A. Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+) Powder Diffraction, 1999, 14, 25-30 |
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