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Searching journal of publication like 'Powder Diffraction'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |
| 9015084 | CIF | Al2 Ca6 H64 O50 S3 | P 3 1 c | 11.229; 11.229; 21.478 90; 90; 120 | 2345.34 | Goetz-Neunhoeffer F; Neubauer, J. Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis Powder Diffraction, 2006, 21, 4-11 |
| 3000042 | CIF | Al2 Cs3 F9 | P 63/m m c | 6.2535; 6.2535; 14.7193 90; 90; 120 | 498.5 | Armel Le Bail; Lubomir Smrcok Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~ Powder Diffraction, 2015, 30, 130-138 |
| 3000041 | CIF | Al3 Cs6 F15 | P m n 21 | 6.36216; 12.7523; 11.4102 90; 90; 90 | 925.73 | Armel Le Bail; Lubomir Smrcok Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~ Powder Diffraction, 2015, 30, 130-138 |
| 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 |
| 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 |
| 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 |
| 9017808 | CIF | Al7 Ca6 F0.87 O16 | I -4 3 d | 11.96269; 11.96269; 11.96269 90; 90; 90 | 1711.93 | Costa, U.; Ballirano, P. Improved powder X-ray data for the cement phase Ca12Al14O32F2 (C11A7f) Powder Diffraction, 2000, 15, 56-61 |
| 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 |
| 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 |
| 1531871 | CIF | Ba Cs In2 O12 P3 | P 21 3 | 10.22854; 10.22854; 10.22854 90; 90; 90 | 1070.14 | Louer, D.; Moise, V.; Rulmont, A.; Liegeois-Duyckaerts, M. A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure Powder Diffraction, 2002, 17, 1-6 |
| 1532348 | CIF | Ba Dy4 O8 Sr | P n m a | 10.26111; 3.45219; 12.049 90; 90; 90 | 426.815 | Wong-Ng, W.; Dillingham, J.; Kaduk, J.A. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532770 | CIF | Ba Er4 O8 Sr | P n m a | 10.21534; 3.41465; 11.97533 90; 90; 90 | 417.721 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532342 | CIF | Ba Eu4 O8 Sr | P n m a | 10.3306; 3.51847; 12.1936 90; 90; 90 | 443.212 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532345 | CIF | Ba Gd4 O8 Sr | P n m a | 10.32655; 3.49713; 12.1722 90; 90; 90 | 439.578 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532351 | CIF | Ba Ho4 O8 Sr | P n m a | 10.23438; 3.43224; 12.01585 90; 90; 90 | 422.079 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1531868 | CIF | Ba In2 K O12 P3 | P 21 3 | 10.12268; 10.12268; 10.12268 90; 90; 90 | 1037.26 | Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A. A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure Powder Diffraction, 2002, 17, 1-6 |
| 1531865 | CIF | Ba In2 Na O12 P3 | P 21 3 | 10.02794; 10.02794; 10.02794 90; 90; 90 | 1008.41 | Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A. A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure Powder Diffraction, 2002, 17, 1-6 |
| 1532335 | CIF | Ba La4 O8 Sr | P n m a | 10.5501; 3.692; 12.5663 90; 90; 90 | 489.47 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532780 | CIF | Ba Lu4 O8 Sr | P n m a | 10.12504; 3.36249; 11.84691 90; 90; 90 | 403.332 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532337 | CIF | Ba Nd4 O8 Sr | P n m a | 10.4012; 3.58727; 12.3393 90; 90; 90 | 460.403 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532340 | CIF | Ba O8 Sm4 Sr | P n m a | 10.349; 3.54266; 12.2391 90; 90; 90 | 448.722 | Wong-Ng, W.; Dillingham, J.; Kaduk, J.A. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532772 | CIF | Ba O8 Sr Tm4 | P n m a | 10.17143; 3.40117; 11.92002 90; 90; 90 | 412.37 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532768 | CIF | Ba O8 Sr Y4 | P n m a | 10.2434; 3.43107; 12.0221 90; 90; 90 | 422.527 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1532776 | CIF | Ba O8 Sr Yb4 | P n m a | 10.15475; 3.38199; 11.87965 90; 90; 90 | 407.986 | Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystal structures and reference diffraction patterns of Ba Sr R4 O9 Powder Diffraction, 2002, 17, 202-209 |
| 1533137 | CIF | Ba0.3 Mn O3 Pr0.7 | P n m a | 5.49; 7.7578; 5.5227 90; 90; 90 | 235.214 | Ellouze, M.; Boujelben, W.; Fuess, H. Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3 Powder Diffraction, 2003, 18, 29-31 |
| 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 |
| 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 |
| 1541208 | CIF | Ba2 Cu O5 Tl | P 4/m m m | 3.85; 3.85; 9.54 90; 90; 90 | 141.407 | Matheis, D.P.; Snyder, R.L. The crystal structures and powder diffraction patterns of the bismuth and thallium Ruddlesden-Popper copper oxide superconductors Powder Diffraction, 1990, 5, 8-24 |
| 1532371 | CIF | Ba2 Cu3 La0.7 O6.97 Pr0.3 | P m m m | 3.9147; 3.8672; 11.7033 90; 90; 90 | 177.175 | Wu, X.S.; Wang, J.; Sha, H.; Yu, T.; Tan, W.S.; Hu, A.; Jiang, S.S.; Ding Yongfan The crystal structure of La0.7 Pr0.3 Ba2 Cu3 Od ceramic compound Powder Diffraction, 2002, 17, 25-29 |
| 1532568 | CIF | Ba4 Eu3 F17 | R -3 :H | 11.1787; 11.1787; 20.5789 90; 90; 120 | 2227.08 | Achary, S.N.; Patwe, S.J.; Tyagi, A.K. Powder XRD study of Ba4 Eu3 F17 Powder Diffraction, 2002, 17, 225-229 |
| 1533489 | CIF | Ba4 F17 Nd3 | R -3 :H | 11.2818; 11.2818; 20.7788 90; 90; 120 | 2290.38 | Grover, V.; Patwe, S.J.; Achary, S.N.; Tyagi, A.K. Synthesis and structural elucidation of Ba4 Nd3 F17: a powder XRD study Powder Diffraction, 2002, 17, 326-330 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 6000419 | CIF | Ba7 Cl2 F12 | P -6 | 10.6373; 10.6373; 4.1724 90; 90; 120 | 408.86 | Es-Sakhi, B.; Gravereau, P.; Fouassier, C. Ab initio determination and Rietveld refinement of the crystal structure of Ba7Cl2F12 Powder Diffraction, 1998, 13, 152-156 |
| 1532913 | CIF | Bi0.5 K0.1 Na0.4 O3 Ti | R 3 c :H | 5.496; 5.496; 13.5063 90; 90; 120 | 353.314 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532915 | CIF | Bi0.5 K0.1 Na0.4 O3 Ti | P 4 b m | 5.5154; 5.5154; 3.8999 90; 90; 90 | 118.634 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532916 | CIF | Bi0.5 K0.2 Na0.3 O3 Ti | R 3 c :H | 5.5047; 5.5047; 13.5341 90; 90; 120 | 355.163 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532918 | CIF | Bi0.5 K0.2 Na0.3 O3 Ti | P 4 m m | 3.9032; 3.9032; 3.9112 90; 90; 90 | 59.587 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532919 | CIF | Bi0.5 K0.25 Na0.25 O3 Ti | R 3 c :H | 5.5207; 5.5207; 13.567 90; 90; 120 | 358.099 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532920 | CIF | Bi0.5 K0.25 Na0.25 O3 Ti | P 4 m m | 3.9136; 3.9136; 3.9289 90; 90; 90 | 60.176 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532922 | CIF | Bi0.5 K0.3 Na0.2 O3 Ti | P m -3 m | 3.9312; 3.9312; 3.9312 90; 90; 90 | 60.754 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 1532924 | CIF | Bi0.5 K0.5 O3 Ti | P 4 m m | 3.9388; 3.9388; 3.9613 90; 90; 90 | 61.456 | Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction, 2002, 17, 301-319 |
| 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 |
| 6000619 | CIF | Br O12 P3 Sr5 | P 63/m | 9.9641; 9.9641; 7.207 90; 90; 120 | 619.67 | Notzold, D.; Wulff, H. Determining the crystal structure of Sr-5(PO4)(3)Br, a new compound in the apatite series, by powder diffraction modeling Powder Diffraction, 1998, 13, 70-73 |
| 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 |
| 9015390 | CIF | C Ca O3 | R -3 c :H | 4.99029; 4.99029; 17.0687 90; 90; 120 | 368.114 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model Powder Diffraction, 2009, 24, 315-326 |
| 9015898 | CIF | C Ca O3 | P 63/m m c | 4.1304; 4.1304; 8.4749 90; 90; 120 | 125.213 | Le Bail, A.; Ouhenia, S.; Chateigner, D. Microtwinning hypothesis for a more ordered vaterite model Note: Kamhi (1963) model, not preferred Powder Diffraction, 2011, 26, 16-21 |
| 9016022 | CIF | C Ca O3 | R -3 c :H | 4.99026; 4.99026; 17.0684 90; 90; 120 | 368.103 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model Powder Diffraction, 2009, 24, 315-326 |
| 9016547 | CIF | C Ca O3 | P b n m | 4.1291; 7.1581; 8.4764 90; 90; 90 | 250.533 | Le Bail, A.; Ouhenia, S.; Chateigner, D. Microtwinning hypothesis for a more ordered vaterite model Note: Meyer (1959) model, not preferred Powder Diffraction, 2011, 26, 16-21 |
| 6000745 | CIF | C H13 Co N5 O6.5 | P 1 21/n 1 | 10.5623; 22.7304; 7.5174 90; 91.35; 90 | 1804.32 | Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S. Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O Powder Diffraction, 1998, 13, 32-34 |
| 6000744 | CIF | C H16 Co5 N6 O6.5 | P 1 21/m 1 | 7.6661; 9.6212; 7.0725 90; 106.261; 90 | 500.78 | Wu, H. X.; Zhu, J. H.; Ma, L. D.; Shen, X. L.; Shi, G. S. Powder diffraction of [Co(NH3)(5)CO3]NO3 .1/2H(2)O and [Co(NH3)(4)CO3]NO3 .1/2H(2)O Powder Diffraction, 1998, 13, 32-34 |
| 9014993 | CIF | C H5 Cl Mg2 O6 | R 3 c :H | 22.6791; 22.6791; 7.22336 90; 90; 120 | 3217.52 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite Powder Diffraction, 2007, 22, 64-67 |
| 6000332 | CIF | C12 Co2 Cu3 N12 | Fm3m | 10.032; 10.032; 10.032 90; 90; 90 | 1009.63 | Malecki, G.; Ratuszna, A. Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+ Powder Diffraction, 1999, 14, 25-30 |
| 6000333 | CIF | C12 Co2 Mn3 N12 | Fm3m | 10.413; 10.413; 10.413 90; 90; 90 | 1129.09 | Malecki, G.; Ratuszna, A. Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+ Powder Diffraction, 1999, 14, 25-30 |
| 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 |
| 6000772 | CIF | C17 H21 Cl2 N O | P 1 21/n 1 | 14.487; 9.878; 11.39 90; 91.66; 90 | 1629.25 | Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M. X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines Powder Diffraction, 1999, 14, 249-252 |
| 6000205 | CIF | C18 H12 O2 | P 21 21 21 | 15.265; 20.524; 3.99 90; 90; 90 | 1250.06 | Yatsenko, A. V.; Chernyshev, V. V.; Zhukov, S. G.; Sonneveld, E. J.; Schenk, H. Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction Powder Diffraction, 1999, 14, 133-135 |
| 6000771 | CIF | C18 H24 Cl N O2 | P 1 21/n 1 | 14.471; 9.6; 11.948 90; 93.21; 90 | 1657.23 | Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M. X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines Powder Diffraction, 1999, 14, 249-252 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 3000009 | CIF | C5 H10 N3 O4 P | I 1 2/c 1 | 16.0725; 7.7301; 14.6189 90; 96.8695; 90 | 1803.24 | Armel Le Bail; Lubomir Smrcok Ab initio structure determination of 3,4-diaminopyridin-1-ium dihydrogen phosphate Powder Diffraction, 2011, 26, 321 |
| 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 | |
| 6000334 | CIF | C6 Fe K N6 Ni | Fm3m | 10.234; 10.234; 10.234 90; 90; 90 | 1071.86 | Malecki, G.; Ratuszna, A. Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+ Powder Diffraction, 1999, 14, 25-30 |
| 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 |
| 1531363 | CIF | C6 H16 Mn2 N6 O8 Os | P 1 21/n 1 | 9.4922; 12.493; 7.6013 90; 98.695; 90 | 891.048 | 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 |
| 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 |
| 6000335 | CIF | C6 H4 Fe K Mn N6 O2 | 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 Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+ Powder Diffraction, 1999, 14, 25-30 |
| 6000289 | CIF | C7 H11 N3 O3 | P 1 21/c 1 | 12.426; 12.173; 6.656 90; 100.19; 90 | 991 | De Armas, H. N.; Hernandez, R. G.; Rivera, A. B.; Hernandez, R. P.; Martinez, I. H. Crystal pseudopolymorphism of secnidazole bulk drug, C7H11N3O3 Powder Diffraction, 1999, 14, 136-141 |
| 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 |
| 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 |
| 6000221 | CIF | C9 H12 N4 O4 | P 1 21/a 1 | 11.599; 11.55; 8.575 90; 110.76; 90 | 1074.19 | Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A. Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data Powder Diffraction, 1999, 14, 289-292 |
| 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 |
| 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 |
| 9012498 | CIF | Ca1.011 Ce3.989 O13 Si3 | P 63/m | 9.4343; 9.4343; 6.8885 90; 90; 120 | 530.976 | Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P. The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2 Powder Diffraction, 2000, 15, 234-238 |
| 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 |
| 9012719 | CIF | Ca5 F O12 S1.5 Si1.5 | P 63/m | 9.44174; 9.44174; 6.93964 90; 90; 120 | 535.762 | Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G. Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic Powder Diffraction, 2002, 17, 281-286 |
| 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 |
| 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 |
| 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 |
| 9012497 | CIF | Ce O4 Si | I 41/a m d :2 | 6.9564; 6.9564; 6.1953 90; 90; 90 | 299.8 | Skakle, J. M. S.; Dickson, C. L.; Glasser, F. P. The crystal structures of CeSiO4 and Ca2Ce8(SiO4)6O2 Powder Diffraction, 2000, 15, 234-238 |
| 1548619 | CIF | Ce0.5 Nd0.5 O1.75 | I a -3 | 11.00425; 11.00425; 11.00425 90; 90; 90 | 1332.54 | Chakraborty, K. R.; Krishna, P. S. R.; Chavan, S. V.; Tyagi, A. K. A neutron diffraction study on ceria - neodia solid solutions Powder Diffraction, 2006, 21, 36-39 |
| 1533309 | CIF | Ce0.68 O1.81 Y0.32 | F m -3 m | 5.3942; 5.3942; 5.3942 90; 90; 90 | 156.957 | Chakraborty, K.R.; Chavan, S.V.; Tyagi, A.K. A neutron diffraction study on a typical highly defective ceria - yttria solid solution Powder Diffraction, 2002, 17, 278-280 |
| 9013973 | CIF | Cl2 Hg7 O3 | P b m a | 11.777; 13.891; 6.46 90; 90; 90 | 1056.82 | Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C. Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure Powder Diffraction, 1996, 11, 45-50 |
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