Crystallography Open Database
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Searching year of publication is 2003
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017818 | CIF | Fe3 H14.472 O12.236 S0.5 | P -3 1 m | 5.5241; 5.5241; 11.0113 90; 90; 120 | 291 | Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R. Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Solid State Sciences, 2003, 5, 327-334 |
| 9017419 | CIF | Al0.49 Fe0.5 K0.99 O8 Si3.01 | C 1 2/m 1 | 8.655; 13.101; 7.25 90; 116.02; 90 | 738.747 | Lebedeva, Y. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Kashaev, A. A.; Taroev, V. K.; Goettlicher, J.; Kroll, H.; Pentinghaus, H.; Suvorova, L. F.; Wulf-Bernodat H; Lashkevich, V. V. Synthesis and crystal structure of low ferrialuminosilicate sanidine Crystallography Reports, 2003, 48, 919-924 |
| 9016706 | CIF | C Ca O3 | R -3 c :H | 4.9844; 4.9844; 17.0376 90; 90; 120 | 366.577 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016493 | CIF | Fe0.11 S0.99 Zn0.9 | F -4 3 m | 5.4174; 5.4174; 5.4174 90; 90; 90 | 158.991 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample J1215P Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
| 9016420 | CIF | Al7.308 B3 Ca0.011 F0.48 Fe0.021 H3.25 K0.002 Li0.378 Mn1.233 Na0.693 O30.57 Si5.928 | R 3 m :H | 15.9466; 15.9466; 7.1384 90; 90; 120 | 1572.06 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample BT American Mineralogist, 2003, 88, 1369-1376 |
| 9016375 | CIF | Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18 | P 63/m m c | 15.739; 15.739; 9.127 90; 90; 120 | 1958 | Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9016327 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.578 90; 90; 120 | 288.472 | Belokoneva, E. L.; Shcherbakova, Y. K. Electron density in synthetic eskolaite Cr2O3 with a corundum structure and its relation to antiferromagnetic properties Russian Journal of Inorganic Chemistry, 2003, 48, 861-869 |
| 9016224 | CIF | Na Nb0.95 O2.975 Ti0.05 | P b m a | 5.5528; 15.5597; 5.514 90; 90; 90 | 476.409 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9016137 | CIF | Ba Be2 O7 Si2 | P m 1 1 | 11.618; 4.904; 4.655 89.94; 90; 90 | 265.217 | Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 Doklady Akademii Nauk, 2003, 388, 205-207 |
| 9015995 | CIF | As Co0.01 Ni0.97 S0.02 | P 63 m c | 3.619; 3.619; 5.036 90; 90; 120 | 57.121 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Sample MP511 Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9015824 | CIF | Na Nb0.8 O2.9 Ti0.2 | P b m a | 5.5303; 15.5677; 5.5072 90; 90; 90 | 474.137 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9015148 | CIF | Na Nb0.85 O2.925 Ti0.15 | P b m a | 5.5396; 15.5705; 5.5087 90; 90; 90 | 475.149 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014916 | CIF | Al7.407 B3 Ca0.032 F0.48 Fe0.018 H3.33 K0.004 Li0.483 Mn1.143 Na0.773 O30.52 Si5.826 Ti0.006 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample P6 American Mineralogist, 2003, 88, 1369-1376 |
| 9014766 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.947; 15.465; 6.626 90; 91.3; 90 | 1428.8 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the a modification Crystallography Reports, 2003, 48, 12-15 |
| 9014738 | CIF | Bi0.36 Ca0.19 Cu H0.64 O4.93 Pb0.43 V | P n a m | 7.486; 9.62; 5.881 90; 90; 90 | 423.522 | Krause, W.; Kolitsch, U.; Bernhardt, H. J.; Effenberger, H. Duhamelite discredited Neues Jahrbuch fur Mineralogie, Monatshefte, 2003, 2003, 75-96 |
| 9014531 | CIF | Na Nb0.9 O2.95 Ti0.1 | P b m a | 5.5428; 15.5632; 5.5094 90; 90; 90 | 475.261 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014483 | CIF | Na Nb O3 | P b m a | 5.5625; 15.5495; 5.5138 90; 90; 90 | 476.911 | Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A. A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00 Chemistry of Materials, 2003, 15, 1872-1878 |
| 9014399 | CIF | Ba2 Cu O7 Si2 | P -4 21 m | 8.284; 8.284; 5.313 90; 90; 90 | 364.603 | Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S. Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7 Jiegou Huaxue, 2003, 22, 33-36 |
| 9014148 | CIF | Cl3.9 Cu18 H34.32 N0.66 O36.36 S0.18 | P 63/m m c | 15.739; 15.739; 9.127 90; 90; 120 | 1958 | Hibbs, D. E.; Leverett, P.; Williams, P. A. A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 100 K Mineralogical Magazine, 2003, 67, 47-60 |
| 9014132 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.947; 15.465; 6.626 90; 91.399; 90 | 1428.74 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A. Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the alpha modification Crystallography Reports, 2003, 48, 12-15 |
| 9013993 | CIF | Fe3 H30 O12.236 S0.5 | P -3 1 m | 5.5241; 5.5241; 11.0113 90; 90; 120 | 291 | Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R. Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic Solid State Sciences, 2003, 5, 327-334 |
| 9013962 | CIF | Cu3 H4 O8 S | P n m a | 8.289; 6.079; 12.057 90; 90; 90 | 607.538 | Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M. Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2, Journal of Solid State Chemistry, 2003, 170, 255-264 |
| 9013114 | CIF | Ba0.05 K0.95 Li Mg0.431 Mn1.569 Na2 O24 Si8 Ti0.34 V1.66 | C 1 c 1 | 16.45; 12.492; 9.995 90; 115.32; 90 | 1856.59 | Matsubara, S.; Miyawaki, R.; Kurosawa, M.; Suzuki, Y. Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate Prefecture, Japan Locality: metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2003, 98, 142-150 |
| 9012923 | CIF | C5 H18 N4 O21 P4 Sc3 | P 1 21/n 1 | 8.603; 15.476; 16.504 90; 96.877; 90 | 2181.53 | Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B. Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Chemistry of Materials, 2003, 15, 3818-3825 |
| 9012881 | CIF | C3.024 H8.064 D34 O17 | F d -3 m :2 | 17.092; 17.092; 17.092 90; 90; 90 | 4993.2 | Rawn, C. J.; Rondinone, A. J.; Chakoumakos, B. C.; Circone, S.; Stern, L. A.; Kirby, S. H.; Ishii, Y. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane Sample: T = 12 K, C3H8*17D20 Canadian Journal of Physics, 2003, 81, 431-438 |
| 9012801 | CIF | Mn Pb4 S14 Sb6 | P 1 21/c 1 | 4.0216; 19.178; 15.837 90; 91.89; 90 | 1220.78 | Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y. Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) Loclaity: synthetic Solid State Sciences, 2003, 5, 771-776 |
| 9012800 | CIF | Fe Pb4 S14 Sb6 | P 1 21/c 1 | 4.0235; 19.074; 15.737 90; 91.89; 90 | 1207.07 | Leone, P.; Le Leuch, L. M.; Palvadeau, P.; Molinie, P.; Moelo, Y. Single crystal structures and magnetic properties of two iron or manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn) Solid State Sciences, 2003, 5, 771-776 |
| 9012774 | CIF | C3 Ba2 F La O9 | P 1 21/m 1 | 13.396; 5.111; 6.672 90; 106.628; 90 | 437.709 | Krivovichev, S. V.; Armbruster, T.; Pekov, I. V. Cation frameworks in structure of natural fluocarbonates of barium and rare-earth elements: crystal structure of kukharenkoite-(La), Ba2(La,Ce)(CO3)3F Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 2003, 65-72 |
| 9012753 | CIF | Ca4.6 F2.75 H2.05 K3 Mn0.4 Na3 O32.25 Si12 | C 1 m 1 | 18.846; 7.242; 12.65 90; 111.84; 90 | 1602.59 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P.; Rozhdestvenskaya, I. V. Crystal structure of F-canasite Doklady Chemistry, 2003, 391, 177-180 |
| 9012738 | CIF | C0.333 H0.667 O0.083 | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: cell T = 7 K, positions T = 5 K, guest molecule Note: occupancies of C11 and H14 switched to reproduce reported formula Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012737 | CIF | D2 O | F d -3 m :2 | 17.262; 17.262; 17.262 90; 90; 90 | 5143.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 265 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012736 | CIF | D2 O | F d -3 m :2 | 17.198; 17.198; 17.198 90; 90; 90 | 5086.67 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 205 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012735 | CIF | D2 O | F d -3 m :2 | 17.15; 17.15; 17.15 90; 90; 90 | 5044.2 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 140 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012734 | CIF | D2 O | F d -3 m :2 | 17.109; 17.109; 17.109 90; 90; 90 | 5008.11 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 75 K, host lattice Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012733 | CIF | D2 O | F d -3 m :2 | 17.103; 17.103; 17.103 90; 90; 90 | 5002.84 | Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y. Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 7 K, host lattice Note: y(D7) corrected Journal of Physical Chemistry B, 2003, 107, 6026-6031 |
| 9012659 | CIF | As4 Cl Cu5 H10 Na O21 Pb | P 1 21/n 1 | 10.023; 19.55; 10.023 90; 90.02; 90 | 1964 | Zubkova, N. V.; Pushcharovsky, D. Y.; Sarp, H.; Teat, S. J.; MacLean, E. J. Crystal structure of zdenekite NaPbCu5(AsO4)4Cl*5H2O Crystallography Reports, 2003, 48, 939-943 |
| 9012658 | CIF | Ca3.3 Ce0.33 Cl0.74 Fe2.1 H18.453 K0.3 La0.132 Mn1.398 Na9.627 Nb0.1 Nd0.036 O79.661 Si24.3 Sr0.504 Ti0.1 Zr3.4 | R 3 m :H | 14.167; 14.167; 30.081 90; 90; 120 | 5228.52 | Rastsvetaeva, R. K.; Chukanov, N. V. Ikranite: composition and structure of a new mineral of the eudialyte group Crystallography Reports, 2003, 48, 717-720 |
| 9012657 | CIF | Ba3.3 Ca2.4 F8 Fe8 H4 K0.7 Mn7.4 Na2.2 Nb0.8 O68 Si16 Ti6.4 Zr0.8 | C 1 2 1 | 10.723; 13.826; 20.791 90; 95; 90 | 3070.67 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Verin, I. A. Crystal structure of surkhobite - new mineral from the family of titanosilicate micas Crystallography Reports, 2003, 48, 384-389 |
| 9012655 | CIF | Al0.84 Ca0.82 F0.29 Fe2.1 H1.47 K0.13 Mg2.7 Mn0.02 Na2.05 O23.71 Si7.16 Ti0.17 | C 1 2/m 1 | 9.875; 18.01; 5.309 90; 104.39; 90 | 914.576 | Pushcharovsky, D. Y.; Lebedeva, Y. S.; Pekov, I. V.; Ferraris, G.; Novakova, A. A.; Ivaldi, G. Crystal structure of magnesioferrikatophorite Locality: Turiy Cape, Kola Peninsula, Russia Crystallography Reports, 2003, 48, 16-23 |
| 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 |
| 9012373 | CIF | Ca Mn2 O4 | P b c a | 6.2545; 9.8995; 9.627 90; 90; 90 | 596.069 | Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P. New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K Journal of Alloys and Compounds, 2003, 353, 5-11 |
| 9012372 | CIF | Ca Mn2 O4 | P b c m | 3.1492; 9.98; 9.66 90; 90; 90 | 303.604 | Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P. New model for the magnetic structure of the marokite-type oxide CaMn2O4 Sample: T = 280 K Journal of Alloys and Compounds, 2003, 353, 5-11 |
| 9012283 | CIF | Ca7.676 Nd0.324 O28 Ta7.705 Zr0.295 | C 1 2 1 | 12.761; 7.358; 24.565 90; 100.17; 90 | 2270.3 | Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure Journal of Solid State Chemistry, 2003, 174, 285-295 |
| 9012282 | CIF | Ca3.906 Nd0.154 O14 Ta3.78 Zr0.16 | P 31 2 1 | 7.356; 7.356; 18.116 90; 90; 120 | 848.939 | Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 123 K, 3T weberite-type structure Journal of Solid State Chemistry, 2003, 174, 285-295 |
| 9012281 | CIF | Al F6 Na3 | P 1 21/n 1 | 5.4054; 5.5934; 7.7672 90; 89.81; 90 | 234.837 | Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101 |
| 9012280 | CIF | Al F6 Na3 | P 1 21/n 1 | 5.4058; 5.5926; 7.7699 90; 90.195; 90 | 234.902 | Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101 |
| 9012279 | CIF | Al F6 Li Na2 | P 1 21/n 1 | 5.2842; 5.3698; 7.5063 90; 89.98; 90 | 212.992 | Ross, K. C.; Mitchell, R. H.; Chakhmouradian, A. R. The crystal structure of synthetic simmonsite, Na2LiAlF6 Journal of Solid State Chemistry, 2003, 172, 95-101 |
| 9011824 | CIF | As2 H10 O21 Pb2 U3 | P 1 21/m 1 | 31.066; 17.303; 7.043 90; 96.492; 90 | 3761.58 | Locock, A. J.; Burns, P. C. The structure of hugelite, an arsenate of the phosphuranylite group, and its relationship to dumontite Locality: Michael Mine, Weiler, Lahr, Black Forest, Baden-Wurttemburg, Germany Note: x(O11) corrected Mineralogical Magazine, 2003, 67, 1109-1120 |
| 9011823 | CIF | Ni3 P | I -4 | 8.9499; 8.9499; 4.385 90; 90; 90 | 351.242 | Skala, R.; Drabek, M. Nickelphosphide from the Vicenice octahedrite: Rietveld crystal structure refinement of synthetic analogue Sample: P-33/3 Mineralogical Magazine, 2003, 67, 783-792 |
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