Crystallography Open Database
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Searching journal of publication like 'Power Diffraction'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000003 | CIF | C3 O6 Sr | P 1 21/c 1 | 7.9661; 9.205; 7.3198 90; 102.104; 90 | 524.8 | G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction Powder Diffraction, 2001, 16, 224-226 |
1000128 | CIF | Cr2 H12 N4 O7 Pd | P 1 21/c 1 | 7.771; 11.578; 11.852 90; 105.5; 90 | 1027.6 | Laligant, Y; Le Bail, A Structure of (Pd (N H3)4) Cr2 O7 Powder Diffraction, 1995, 10, 159-164 |
1100062 | CIF | Fe0.333 I2 Li O6 | P 63 | 5.4632; 5.4632; 5.0859 90; 90; 120 | 131.5 | Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~ Power Diffraction, 2002, 17, 132-134 |
1500024 | CIF | C7 H17 Cl N2 O2 | P 1 21/n 1 | 8.8749; 16.4118; 7.1373 90; 93.8031; 90 | 1037.28 | Armel Le Bail <i>Ab initio</i> structure determination of bethanechol chloride Powder Diffraction, 2010, 25 |
1507761 | CIF | Al F4 K | P n m a | 8.3242; 7.2502; 11.8875 90; 90; 90 | 717.44 | Le Bail, A Ab initio structure determination of theta-KAlF4 with edge-sharing AlF6 octahedra Powder Diffraction, 2009, 24, 185-190 |
1507762 | CIF | F14 Ga3 Na5 | P 1 21/n 1 | 10.4052; 7.2251; 7.2689 90; 90.664; 90 | 546.429 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
1507763 | CIF | Cr3 F14 Na5 | P 1 21/n 1 | 10.5096; 7.2253; 7.2713 90; 90.6753; 90 | 552.11 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
1507764 | CIF | F14 Fe3 Na5 | P 1 21/n 1 | 10.4342; 7.3418; 7.4023 90; 90.799; 90 | 567 | Le Bail, A; Mercier, A M Distorted chiolite crystal structures of alpha-Na5M3F14 (M=Cr,Fe,Ga) studied by X-ray powder diffraction Powder Diffraction, 2003, 18, 128-134 |
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 |
1507768 | CIF | Al3 F12 H4 K3 O2 | P n m a | 13.5135; 7.04327; 12.2253 90; 90; 90 | 1163.59 | Le Bail, A Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1) Powder Diffraction, 2009, 24, 292-300 |
1507769 | CIF | Al3 F12 H2 K3 O | P m m n :2 | 7.0523; 12.1005; 6.7057 90; 90; 90 | 572.24 | Le Bail, A Thermodiffractometry and crystal structures of the hexagonal-tungsten-bronze-related K3Al3F12.nH2O (n=2,1) Powder Diffraction, 2009, 24, 292-300 |
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 |
1507771 | CIF | C20 H39 Ag O2 | P -1 | 4.1519; 4.7055; 53.555 89.473; 87.617; 76.329 | 1015.8 | Stephens, P W; Kaduk, J A; Blanton, T N; Whitcomb, D R; Misture, S T; Rajeswraran, M Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods Powder Diffraction, 2012, 27, 99-103 |
1507772 | CIF | Cr H22 Mg O15 | P -1 | 6.81133; 6.95839; 17.385 87.92; 89.48; 62.772 | 732.166 | Fortes, A D; Wood, I G X-ray powder diffraction analysis of a new magnesium chromate hydrate, MgCrO4.11H2O Powder Diffraction, 2012, 27, 8-11 |
1507773 | CIF | C7 H6 Al N O6 | P -1 | 6.7813; 7.4944; 8.5013 95.257; 102.478; 108.979 | 392.733 | Stahl, K; Brink, B; Andersen, J Structure determination of a novel metal-organic compound synthesized from aluminum and 2,5-pyridinedicarboxylic acid Powder Diffraction, 2011, S44-S46 |
1507774 | CIF | C22 H43 Ag O2 | P -1 | 4.1769; 4.7218; 58.3385 89.44; 89.634; 75.854 | 1115.63 | Blanton, T N; Rajeswraran, M; Stephens, P W; Whitcomb, D R; Misture, S T; Kaduk, J A Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods Powder Diffraction, 2011, 26, 313-320 |
1509113 | CIF | Ag0.4 Ga1.6 Y | P 63/m m c | 4.438; 4.438; 7.224 90; 90; 120 | 123.22 | Dwight, A.E. The Ca In2-type structure in Y Ag0.4 Ga1.6 Powder Diffraction, 1986, 1, 328-329 |
1511295 | CIF | B Pd3 | P n m a | 5.4602; 7.5596; 4.8417 90; 90; 90 | 199.851 | Ellner, M.; Mittemeijer, E.J.; Beck, 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 |
1513881 | CIF | F5 Fe K2 | P n m a | 7.3964; 5.6779; 11.5445 90; 90; 90 | 484.82 | Le Bail, Armel On two new K~2~FeF~5~ forms Powder Diffraction, 2014, 29, 33-41 |
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 |
1520794 | CIF | Al5.84 Ca2.89 H32.64 O48.32 Si10.16 | I 1 2/a 1 | 9.8799; 10.2801; 9.8764 90; 90.113; 90 | 1003.11 | Artioli, G.; Marchi, M. On the space group of garronite Powder Diffraction, 1999, 14, 190-194 |
1521062 | CIF | Mo4 O11 | P n a 21 | 24.47559; 6.7516; 5.4572 90; 90; 90 | 901.799 | Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H. Rietveld refinement of the crystal structure of gamma-(Mo4 O11) Powder Diffraction, 1999, 14, 284-288 |
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 |
1521296 | CIF | C6 H2 Fe K Mn N6 O | P 1 21/c 1 | 10.108; 10.104; 10.114 90; 92.93; 90 | 1031.6 | 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 |
1521313 | CIF | Ga9.63 La2 O38 Ti10.26 | R -3 :R | 9.1878; 9.1878; 9.1878 68.458; 68.458; 68.458 | 646.373 | Meden, A.; Skapin, S.; Kolar, D. Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38 Powder Diffraction, 1999, 14, 36-41 |
1521766 | CIF | In1.6 O8 Y0.42 Zn4.98 | R -3 m :H | 3.3505; 3.3505; 57.863 90; 90; 120 | 562.537 | Pitschke, W.; Koumoto, K. Powder diffraction data and Rietveld refinement for Y-doped (Zn O)5In2 O3 Powder Diffraction, 1999, 14, 213-218 |
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 |
1522193 | CIF | O6 Pt Sr4 | R -3 c :H | 9.7477; 9.7477; 11.8791 90; 90; 120 | 977.504 | Wong-Ng, W.; Young, R.A.; Kaduk, J.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J. Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement Powder Diffraction, 1999, 14, 181-189 |
1522195 | CIF | Ca0.85 O6 Pt Sr3.15 | R -3 c :H | 9.724; 9.724; 11.5214 90; 90; 120 | 943.465 | Wong-Ng, W.; Swartzendruber, L.J.; Kaduk, J.A.; Brown, H.J.; Young, R.A.; Jiang, F. Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement Powder Diffraction, 1999, 14, 181-189 |
1522197 | CIF | Ca1.855 O6 Pt Sr2.145 | R -3 c :H | 9.6153; 9.6153; 11.4284 90; 90; 120 | 915.044 | Wong-Ng, W.; Kaduk, J.A.; Young, R.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J. Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement Powder Diffraction, 1999, 14, 181-189 |
1522199 | CIF | Ca2.906 O6 Pt Sr1.094 | R -3 c :H | 9.478; 9.478; 11.3301 90; 90; 120 | 881.45 | Wong-Ng, W.; Brown, H.J.; Kaduk, J.A.; Jiang, F.; Young, R.A.; Swartzendruber, L.J. Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement Powder Diffraction, 1999, 14, 181-189 |
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 |
1525852 | CIF | Cd4 H9 O11.5 S | P 63 | 9.145; 9.145; 15.099 90; 90; 120 | 1093.57 | Louer, D.; Rius, J.; Louer, M.; Bennard-Rocherulle, P. Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4 S O4 (O H)6 * 1.5(H2 O) studied from X-ray powder and single-crystal diffraction data Powder Diffraction, 2001, 16, 86-91 |
1525900 | CIF | O12 W Y6 | R -3 :H | 9.7505; 9.7505; 9.3094 90; 90; 120 | 766.489 | Diot, N.; Benard-Rocherulle, P.; Marchand, R. X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho) Powder Diffraction, 2000, 15, 220-226 |
1525901 | CIF | Ho6 O12 W | R -3 :H | 9.7583; 9.7583; 9.3142 90; 90; 120 | 768.112 | Diot, N.; Benard-Rocherulle, P.; Marchand, R. X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho) Powder Diffraction, 2000, 15, 220-226 |
1526208 | CIF | Ba1.08 Bi1.92 O9 Ta2 | I 4/m m m | 3.9325; 3.9325; 25.5069 90; 90; 90 | 394.453 | Paiva-Santos, C.O.; Mazon, T.; Zaghete, M.A.; Campos, A.L.; Varela, J.A.; Foschini, C.R. Crystal structure of Ba Bi2 Ta2 O9 Powder Diffraction, 2000, 15, 134-138 |
1526323 | CIF | Cu In Se Te | I -4 2 d | 5.987; 5.987; 11.979 90; 90; 90 | 429.377 | Rashmi; Suri, D.K. X-ray powder diffraction study of Cu In Se Te Powder Diffraction, 2000, 15, 65-68 |
1526458 | CIF | Bi2 O3 | P 1 21/c 1 | 5.8444; 8.1574; 7.5032 90; 112.97; 90 | 329.352 | Ivanov, S.A.; Orlov, V.G.; Tellgren, R.; Rundlof, H. Structural studies of alpha-(Bi2 O3) by neutron powder diffraction Powder Diffraction, 2001, 16, 227-230 |
1526947 | CIF | Bi2.8 Ca1.2 O12 Sr4 | P 1 21/n 1 | 8.38898; 5.99334; 5.89586 90; 89.997; 90 | 296.432 | Wong-Ng, W.; Kaduk, J. A.; Huang, Q.; Roth, R. S. Crystal structure of the monoclinic perovskite Sr~3.94~Ca~1.31~Bi~2.70~O~12~ Powder Diffraction, 2000, 15, 227-233 |
1526948 | CIF | Ba5 Eu8 O21 Zn4 | I 4/m | 13.96062; 13.96062; 5.78483 90; 90; 90 | 1127.46 | Wong-Ng, W.; Dillingham, J.; Kaduk, J.A. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526949 | CIF | Ba5 Gd8 O21 Zn4 | I 4/m | 13.91895; 13.91895; 5.76822 90; 90; 90 | 1117.52 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526950 | CIF | Ba5 Dy8 O21 Zn4 | I 4/m | 13.80473; 13.80473; 5.72491 90; 90; 90 | 1091 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526951 | CIF | Ba5 Ho8 O21 Zn4 | I 4/m | 13.76577; 13.76577; 5.70754 90; 90; 90 | 1081.56 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526952 | CIF | Ba5 Er8 O21 Zn4 | I 4/m | 13.71838; 13.71838; 5.69019 90; 90; 90 | 1070.86 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526953 | CIF | Ba5 O21 Tm8 Zn4 | I 4/m | 13.67323; 13.67323; 5.67492 90; 90; 90 | 1060.97 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526954 | CIF | Ba5 O21 Yb8 Zn4 | I 4/m | 13.63502; 13.63502; 5.65846 90; 90; 90 | 1051.99 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction, 2001, 16, 131-143 |
1526970 | CIF | Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 | P m m m | 3.8731; 3.8249; 11.6602 90; 90; 90 | 172.737 | Wu, X.S.; Wang, F.Z.; Jiang, S.S. Structure determination and Rietveld refinement of Y0.8 Ca0.2 Ba1.8 La0.2 Cu3 Oy Powder Diffraction, 2001, 16, 212-215 |
1527228 | CIF | Cu9 In4 | P -4 3 m | 9.097; 9.097; 9.097 90; 90; 90 | 752.826 | Che Guangcan; Ellner, M. Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4 (h) and Cu2 In (h) Powder Diffraction, 1992, 7, 107-108 |
1531362 | CIF | C6 H16 Fe Mn2 N6 O8 | P 1 21/n 1 | 9.3656; 12.2731; 7.4816 90; 98.649; 90 | 850.193 | Gomez, A.; Lara, V.H.; Bosch, P.; Reguera, E. The structure of two manganese hexacyanometallates(II): Mn2 (Fe (C N)6) * 8(H2 O) and Mn2 (Os (C N)6) *8(H2 O) Powder Diffraction, 2002, 17, 144-148 |
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