Crystallography Open Database
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Searching space group like 'P b c n'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2104024 | CIF Paper | Ge O2 | P b c n | 4.0519; 5.0269; 4.5223 90; 90; 90 | 92.11 | Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B, 2003, 59, 701-708 |
9002782 | CIF | O2 Si | P b c n | 4.097; 5.0462; 4.4946 90; 90; 90 | 92.923 | Dera, P.; Prewitt, C. T.; Boctor, N. Z.; Hemley, R. J. Characterization of a high-pressure phase of silica from the Martian meteorite Shergotty alpha-PbO2-like American Mineralogist, 2002, 87, 1018-1023 |
1525833 | CIF | Ge O2 | P b c n | 4.5792; 4.0956; 5.088 90; 90; 90 | 95.423 | Lodziana, Z.; Parlinski, K.; Hafner, J. Ab initio studies of high-pressure transformations in Ge O2 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1341061-1341067 |
9009242 | CIF | C O2 | P b c n | 4.3441; 6.111; 4.285 90; 90; 90 | 113.753 | Park, J. H.; Yoo, C. S.; Iota, V.; Cynn, H.; Nicol, M. F.; Le Bihan, T. Crystal structure of bent carbon dioxide phase IV Sample: P = 15 GPa, the authors think this structure is correct Physical Review B, 2003, 68, 014107-014107 |
1562532 | CIF | O2 Ti | P b c n | 4.5337; 5.49959; 4.9037 90; 90; 90 | 122.266 | Spektor, Kristina; Tran, Dung Trung; Leinenweber, Kurt; Häussermann, Ulrich Transformation of rutile to TiO2-II in a high pressure hydrothermal environment Journal of Solid State Chemistry, 2013, 206, 209-216 |
1530026 | CIF | O2 Ti | P b c n | 4.5318; 5.5019; 4.9063 90; 90; 90 | 122.331 | Grey, I.E.; Braunshausen, G.; Li, C.; Madsen, I.C. Ti O2-II. Ambient pressure and structure refinement Materials Research Bulletin, 1988, 23, 743-753 |
2310486 | CIF | O2 Ti | P b c n | 4.515; 5.497; 4.939 90; 90; 90 | 122.581 | Simons, P.Y.; Dachille, F. The structure of Ti O2 II, a high-pressure phase of Ti O2 Acta Crystallographica (1,1948-23,1967), 1967, 23, 334-336 |
9009092 | CIF | O2 Re | P b c n | 4.8094; 5.6433; 4.6007 90; 90; 90 | 124.867 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 239-444 |
7243652 | CIF | Fe2.667 O8 W1.333 | P b c n | 4.57964; 5.58662; 4.9692 90; 90; 90 | 127.136 | Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304 |
1565524 | CIF | Fe2.67 O8 W1.33 | P b c n | 4.58111; 5.59297; 4.96249 90; 90; 90 | 127.149 | Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs The Journal of Physical Chemistry C, 2021, 125, 25907-25916 |
9010854 | CIF | O2 Ti0.666 Zr0.334 | P b c n | 4.7112; 5.4944; 4.9962 90; 90; 90 | 129.328 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010853 | CIF | O2 Ti0.65 Zr0.35 | P b c n | 4.72; 5.5078; 5.0018 90; 90; 90 | 130.031 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010852 | CIF | O2 Ti0.6 Zr0.4 | P b c n | 4.7447; 5.4925; 5.0119 90; 90; 90 | 130.611 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
1530063 | CIF | Fe Nb O4 | P b c n | 4.6496; 5.6181; 5.0058 90; 90; 90 | 130.761 | Harrison, W.T.A.; Cheetham, A.K. Structural and Magnetic Properties of Fe Nb O4-II Materials Research Bulletin, 1989, 24, 523-527 |
9008307 | CIF | O2 Ti0.67 Zr0.33 | P b c n | 4.706; 5.553; 5.024 90; 90; 90 | 131.289 | Willgallis, A.; Hartl, H. (Zr0.33Ti0.67)O2 - ein naturliches zirkonium-titanoxid mit alpha-PbO2-struktur Locality: Rakwana, Sri Lanka Zeitschrift fur Kristallographie, 1983, 164, 59-66 |
1538358 | CIF | O4 Ti Zr | P b c n | 4.806; 5.447; 5.032 90; 90; 90 | 131.729 | Newnham, R.E. Crystal structure of Zr Ti O4 Journal of the American Ceramic Society, 1967, 50, 216-216 |
1533881 | CIF | C V2 | P b c n | 4.567; 5.744; 5.026 90; 90; 90 | 131.846 | Khaenko, B.V. X-ray study of the crystal structure of carbide V2 C rhombic modification Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki, 1979, 41, 387-391 |
1533491 | CIF | C V2 | P b c n | 4.57; 5.742; 5.026 90; 90; 90 | 131.887 | Arbuzov, M.P.; Khaenko, B.V.; Fak, V.G. Investigation of the Rhombic Modification of Carbide, V2 C Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki, 1977, 1977, 153-156 |
9010851 | CIF | O2 Ti0.548 Zr0.452 | P b c n | 4.7762; 5.501; 5.0253 90; 90; 90 | 132.034 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
1549901 | CIF | Nb0.5 O2 Ti0.25 Zn0.25 | P b c n | 4.67138; 5.65916; 5.00745 90; 90; 90 | 132.377 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
1008790 | CIF | O2 Ti0.5 Zr0.5 | P b c n | 4.8042; 5.4825; 5.0313 90; 90; 90 | 132.5 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 Journal of Solid State Chemistry, 1986, 64, 30-46 |
9010850 | CIF | O2 Ti0.5 Zr0.5 | P b c n | 4.8069; 5.4785; 5.0339 90; 90; 90 | 132.566 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010849 | CIF | O2 Ti0.45 Zr0.55 | P b c n | 4.8349; 5.4801; 5.0439 90; 90; 90 | 133.642 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
9010848 | CIF | O2 Ti0.425 Zr0.575 | P b c n | 4.8495; 5.4635; 5.0462 90; 90; 90 | 133.7 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
1537386 | CIF | Hf O4 Ti | P b c n | 4.758; 5.61; 5.072 90; 90; 90 | 135.384 | Harari, A.; Huber, M.; Bocquet, J.P.; Collongues, R. Structure cristalline de l'oxyde mixte Hf Ti O4 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 267, 1316-1318 |
7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
1539301 | CIF | Mn0.33 O2 Ta0.67 | P b c n | 4.7471; 5.7438; 5.148 90; 90; 90 | 140.367 | Tarakina, N.V.; Tyutyunnik, A.P.; Zubkov, V.G.; D'yachkova, T.V.; Swensson, G.; Sayagues, M.; Zainulin, Yu.G. New phases in the Mn O - Nb (Ta)2 O5 system prepared by high-pressure high-temperature technique Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 2003, 44, 286-289 |
1527452 | CIF | Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 | P b c n | 4.785; 5.758; 5.16 90; 90; 90 | 142.168 | Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C. The crystal structures of tantalite, ixiolite and wodginite from bernic lake, manitoba I. Tantalite and ixiolite Canadian Mineralogist, 1976, 14, 540-549 |
9004110 | CIF | Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02 | P b c n | 4.785; 5.758; 5.16 90; 90; 90 | 142.168 | Grice, J. D.; Ferguson, R. B.; Hawthorne, F. C. The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite The Canadian Mineralogist, 1976, 14, 540-549 |
1539795 | CIF | C Mo2 | P b c n | 4.735; 6.025; 5.21 90; 90; 90 | 148.633 | Epicier, T.; Dubois, J.; Esnouf, C.; Fantozzi, G.; Convert, P. Neutron powder diffraction studies of transition metal hemicarbides M2 C1-x - II. In situ high temperature study on W2 C1-x and Mo2 C1-x Acta Metallurgica, 1988, 36, 1903-1921 |
1527881 | CIF | C Mo2 | P b c n | 4.732; 6.037; 5.204 90; 90; 90 | 148.663 | Norlund Christensen, A. A neutron diffraction investigation on a crystal of alpha-Mo2 C Acta Chemica Scandinavica, Series A: (28,1974-), 1977, 31, 509-511 |
1532121 | CIF | Fe2 O3 | P b c n | 6.6428; 4.6003; 4.9263 90; 90; 90 | 150.542 | Rozenberg, G.Kh.; Naaman, O.; Dubrovinskii, L.S.; Ahuja, R.; Le Bihan, T.; Pasternak, M.P. High-pressure structural studies of hematite Fe2 O3 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 65, 064112-1-064112-8 |
9009091 | CIF | O2 Pb | P b c n | 4.947; 5.951; 5.497 90; 90; 90 | 161.829 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2 Crystal Structures, 1963, 1, 239-444 |
1531016 | CIF | O2 Pb | P b c n | 4.948; 5.951; 5.497 90; 90; 90 | 161.862 | Zaslavskii, A.I.; Kondrashev, Yu.D.; Tolkachev, S.S. The new modification of lead dioxide and the texture of anode sediments Doklady Akademii Nauk SSSR, 1950, 75, 559-561 |
9003431 | CIF | Mg O3 Si | P b c n | 7.037; 6.928; 4 90; 90; 90 | 195.009 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9004254 | CIF | Al O4 Ta | P b c n | 4.473; 11.308; 4.775 90; 90; 90 | 241.523 | Ercit, T. S.; Hawthorne, F. C.; Cerny, P. The crystal structure of alumotantite: Its relation to the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds The Canadian Mineralogist, 1992, 30, 653-662 |
7044476 | CIF | Ag F2 | P b c n | 5.476; 8.331; 5.787 90; 90; 90 | 264 | Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W. Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2 Dalton Trans., 2017 |
2000863 | CIF Paper | F4 In Li | P b c n | 4.752; 11.721; 4.971 90; 90; 90 | 276.88 | Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P. Structure of lithium tetrafluoroindate Acta Crystallographica Section C, 1992, 48, 769-771 |
2100015 | CIF | C H2 Cl2 | P b c n | 3.924; 7.793; 9.335 90; 90; 90 | 285.46 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
1008067 | CIF | Cr O4 U | P b c n | 4.871; 11.787; 5.053 90; 90; 90 | 290.1 | Bacmann, M; Bertaut, E F Structure de U Cr O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1964, 87, 275-276 |
1008069 | CIF | Cr O4 U | P b c n | 4.871; 11.787; 5.053 90; 90; 90 | 290.1 | Bacmann, M; Bertaut, E F; Bassi, G Parametres atomiques et structure magnetique de U Cr O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1965, 88, 214-218 |
2100014 | CIF | C H2 Cl2 | P b c n | 3.984; 7.863; 9.357 90; 90; 90 | 293.12 | Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane Acta Crystallographica, Section B, 2005, 61, 595-600 |
1008066 | CIF | Fe O4 U | P b c n | 4.888; 11.937; 5.11 90; 90; 90 | 298.2 | Bachmann, M; Bertaut, E F Structure du nouveau compose U Fe O~4~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1967, 90, 257-258 |
2102967 | CIF HKL Paper | C H2 Br Cl | P b c n | 3.9929; 7.9351; 9.6808 90; 90; 90 | 306.73 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
9007492 | CIF | Rh2 S3 | P b c n | 8.462; 5.985; 6.138 90; 90; 90 | 310.859 | Parthe, E.; Hohnke, D.; Hulliger, F. A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3 Acta Crystallographica, 1967, 23, 832-840 |
2022680 | CIF HKL Paper | Rh2 S3 | P b c n | 8.4672; 5.98537; 6.13921 90; 90; 90 | 311.131 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2022679 | CIF HKL Paper | Ir2 S3 | P b c n | 8.4728; 6.01563; 6.1537 90; 90; 90 | 313.649 | Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry, 2022, 78 |
2106927 | CIF | F4 Na Ti | P b c n | 4.976; 5.755; 11.07 90; 90; 90 | 317.01 | Omaly, J.; Avignant, D.; Batail, P.; Grandjean, D.; Cousseins, J.C. Structure cristalline de alpha-Na Ti F4 Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2106-2110 |
2102966 | CIF HKL Paper | C H2 Br Cl | P b c n | 4.1126; 8.0685; 9.755 90; 90; 90 | 323.7 | Podsiadło, Marcin; Katrusiak, Andrzej Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl Acta Crystallographica Section B, 2007, 63, 903-911 |
1530409 | CIF | Ge Li Nd O4 | P b c n | 5.096; 11.923; 5.399 90; 90; 90 | 328.041 | Merinov, B.V.; Maksimov, B.A.; Dem'yanets, L.N.; Belov, N.V. Crystal structure of Li Nd Ge O4 Doklady Akademii Nauk SSSR, 1980, 250, 357-360 |
2004652 | CIF Paper | B2 O4 Sr | P b c n | 12.0135; 4.339; 6.5864 90; 90; 90 | 343.33 | Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H. Strontium Metaborate, SrB~2~O~4~ Acta Crystallographica Section C, 1996, 52, 498-500 |
2010455 | CIF | Al2.7 Fe Si2.3 | P b c n | 6.061; 6.061; 9.525 90; 90; 90 | 349.9 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. FeAl~3~Si~2~ Acta Crystallographica Section C, 1995, 51, 177-179 |
4117100 | CIF | C3 F4 | P b c n | 8.282; 5.14; 8.268 90; 90; 90 | 352 | Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases Journal of the American Chemical Society, 1996, 118, 209-216 |
2020520 | CIF | O4 Sr Te | P b c n | 5.605; 13.181; 5.003 90; 90; 90 | 369.6 | Lapasset, J.; Moret, J. Structure de SrTeO~4~ sur monocristal. Organisation de structures comportant des empilements de chaînes (TeO~4~)~n~. Dimorphisme de Na~2~TeO~4~ Acta Crystallographica, Section C: Crystal Structure Communications, 1985, 41, 1558-1562 |
2106368 | CIF | Na2 O4 Te | P b c n | 5.798; 12.24; 5.214 90; 90; 90 | 370.025 | Kratochvil, B.; Jensovsky, L. The crystal structure of sodium metatellurate Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2596-2598 |
1528627 | CIF | Ba N2 O2 Si2 | P b c n | 14.3902; 5.3433; 4.83254 90; 90; 90 | 371.58 | Kechele, J.A.; Oeckler, O.; Schnick, W.; Stadler, F. Structure elucidation of Ba Si2 O2 N2 - A host lattice for rare-earth doped luminescent materials in phosphor-converted (pc)-LEDs Solid State Sciences, 2009, 11, 537-543 |
9011955 | CIF | C Ca2 F2 O3 | P b c n | 7.65; 7.55; 6.548 90; 90; 90 | 378.196 | Leufer, U.; Tillmanns, E. Die kristallstruktur von brenkit, Ca2F2CO3 Tschermaks Mineralogische und Petrographische Mitteilungen, 1980, 27, 261-266 |
2310464 | CIF | Fe2 O6 W | P b c n | 4.576; 16.766; 4.967 90; 90; 90 | 381.074 | Pinto, H.; Shaked, H.; Melamud, M. Magnetic structure of Fe2 W O6, a neutron diffraction study Acta Crystallographica A (24,1968-38,1982), 1977, 33, 663-667 |
1566656 | CIF | D2 O | P b c n | 8.3966; 5.4546; 8.3737 90; 90; 90 | 383.52 | Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L. Structure and nature of ice XIX Nature Communications, 2021, 12, 3162 |
1008697 | CIF | O24 Ti7.24 Zr4.76 | P b c n | 14.3574; 5.3247; 5.02 90; 90; 90 | 383.8 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 Journal of Solid State Chemistry, 1986, 64, 30-46 |
1539497 | CIF | Cd K2 O2 | P b c n | 10.089; 6.186; 6.152 90; 90; 90 | 383.95 | Vielhaber, E.; Hoppe, R. Ueber Oxocadmate: Die Kristallstruktur von K2 Cd O2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 392, 209-217 |
9013659 | CIF | Mg O3 Si | P b c n | 9.177; 8.816; 4.812 90; 90; 90 | 389.312 | Jahn, S.; Martonak, R. Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure Note: modelled high-pressure phase at P = 0 GPa American Mineralogist, 2009, 94, 950-956 |
9007747 | CIF | Li2 O5 Si2 | P b c n | 5.683; 4.784; 14.648 90; 90; 90 | 398.242 | Smith, R. I.; Howie, R. A.; West, A. R.; Aragon-Pina A; Villafuerte-Castrejon M E The structure of metastable lithium disilicate, Li2Si2O5 Acta Crystallographica, Section C, 1990, 46, 363-365 |
8103679 | CIF | Nb2 Ni O6 | P b c n | 14.0217; 5.6752; 5.015 90; 90; 90 | 399.073 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
2002316 | CIF | Nb2 Ni O6 | P b c n | 14.032; 5.687; 5.033 90; 90; 90 | 401.6 | Wichmann, R; Mueller-Buschbaum, Hk Synthese und Untersuchung von Ni Nb2 O6-Einkristallen mit Columbit - und Rutilstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1983, 503, 101-105 |
2002115 | CIF | Nb1.76 O6 V0.24 Zn | P b c n | 14.113; 5.693; 5.025 90; 90; 90 | 403.7 | Waburg, M; M, ller-Buschbaum H K Kristallchemische Untersuchungen an den Phasen: (I) Zn (V.~12~ Nb~.88~)~2~ O~6~, (II) Zn (V.~28~ Ta~.72~)~2~ O~6~ und (III) Zn (Nb~.58~ Ta~.42~)~2~ O~6~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 542, 31-36 |
1532756 | CIF | Mg0.857 Nb1.714 O6 Ti0.429 | P b c n | 14.136; 5.681; 5.042 90; 90; 90 | 404.906 | Bruno, J.C.; Cavalheiro, A.A.; Zaghete, M.A.; Varela, J.A.; Cilense, M. Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders Materials Chemistry and Physics, 2004, 84, 120-125 |
1530306 | CIF | F O5 Ti2 Yb | P b c n | 14.366; 5.48; 5.148 90; 90; 90 | 405.28 | Lobkovskaya, R.M.; Shcherbakova, L.G.; Kaminskii, V.F.; Sukhanova, G.E.; Kolesnikov, A.V.; Shibaeva, R.P. Synthesis and Crystal Structure of Yb Ti2 O5 F Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1984, 20, 873-876 |
1006088 | CIF | Cu Nb2 O6 | P b c n | 14.097; 5.613; 5.123 90; 90; 90 | 405.4 | Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H Structural relations in mixed oxides Cux Zn1-x Nb2 O6 Journal of Solid State Chemistry, 1995, 115, 476-483 |
1000067 | CIF | Li O6 Sb W | P b c n | 4.6664; 17.4435; 4.9941 90; 90; 90 | 406.5 | Le Bail, A; Duroy, H; Fourquet, J L Ab-initio structure determination of Li Sb W O~6~ by X-ray powder diffraction Materials Research Bulletin, 1988, 23, 447-452 |
9012222 | CIF | Mg Nb2 O6 | P b c n | 14.1875; 5.7001; 5.0331 90; 90; 90 | 407.028 | Pagola, S.; Carbonio, R. E.; Alonso, J. A.; Fernandez-Diaz M T Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14<x<1.60) phases Locality: synthetic Note: reported and calculated Biso(O2)'s do not match Journal of Solid State Chemistry, 1997, 134, 76-84 |
2002311 | CIF | O6 Ta2 Zn | P b c n | 4.702; 17.09399; 5.07 90; 90; 90 | 407.5 | Waburg, M.; Müller-Buschbaum, Hk. ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~) Zeitschrift für Anorganische und Allgemeine Chemie, 1984, 508, 55-60 |
8103680 | CIF | Co Nb2 O6 | P b c n | 14.1475; 5.712; 5.0446 90; 90; 90 | 407.657 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
2002361 | CIF | Nb1.16 O6 Ta0.84 Zn | P b c n | 4.71; 17.103; 5.072 90; 90; 90 | 408.6 | Waburg, M; Mueller-Buschbaum, Hk Kristallchemische Untersuchungen an den Phasen: (I) Zn (V0.12 Nb0.88)2 O6, (II) Zn (V0.28 Ta0.72)2 O6 und (III) Zn (Nb0.58 Ta0.42)2 O6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1986, 542, 31-36 |
1532829 | CIF | Fe0.794 Mn0.067 Nb1.578 O6 Sc0.047 Sn0.015 Ta0.078 Ti0.335 W0.044 | P b c n | 14.174; 5.692; 5.065 90; 90; 90 | 408.636 | Okrusch, M.; Brummer, A.; Hock, R.; Schuessler, U.; Baier, M.; Theisinger, H. Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: an electron-microprobe and Rietveld study American Mineralogist, 2003, 88, 986-995 |
1006089 | CIF | Cu0.36 Nb2 O6 Zn0.64 | P b c n | 14.187; 5.73; 5.031 90; 90; 90 | 409 | Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H Structural relations in mixed oxides Cux Zn1-x Nb2 O6 Journal of Solid State Chemistry, 1995, 115, 476-483 |
2002312 | CIF | Nb2 O6 Zn | P b c n | 14.208; 5.726; 5.04 90; 90; 90 | 410 | Waburg, M.; Müller-Buschbaum, Hk. ZnTa~2~O~6~, ein neuer Vertreter des tri-α-PbO~2~ Typs (mit ergaenzenden Daten über ZnNb~2~O~6~) Zeitschrift für Anorganische und Allgemeine Chemie, 1984, 508, 55-60 |
9013658 | CIF | Mg O3 Si | P b c n | 9.171; 8.513; 5.254 90; 90; 90 | 410.194 | Jahn, S.; Martonak, R. Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure American Mineralogist, 2009, 94, 950-956 |
8103681 | CIF | Fe Nb2 O6 | P b c n | 14.2448; 5.7276; 5.0421 90; 90; 90 | 411.377 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
1008356 | CIF | Fe Nb2 O6 | P b c n | 14.2661; 5.7334; 5.0495 90; 90; 90 | 413 | Bordet, P; McHale, A; Santoro, A; Roth, R S Powder neutron diffraction study of Zr Ti O~4~, Zr~5~ Ti~7~ O~24~ and Fe Nb~2~ O~6~ Journal of Solid State Chemistry, 1986, 64, 30-46 |
2002124 | CIF | Mn0.333 O6 Ta2 Zn0.667 | P b c n | 4.73; 17.15399; 5.093 90; 90; 90 | 413.2 | Rohweder, U; Mueller-Buschbaum, Hk Geordnete und ungeordnete Metallverteilung in Mn Zn2 Ta2 O8 und Mn0.33 Zn0.67 Ta2 O6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989, 572, 102-108 |
9014551 | CIF | Lu O6 Ta Ti | P b c n | 14.5288; 5.5226; 5.1572 90; 90; 90 | 413.797 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9015174 | CIF | Fe Nb1.2 O6 Ta0.8 | P b c n | 14.2737; 5.73543; 5.0554 90; 90; 90 | 413.864 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
9003739 | CIF | Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 | P b c n | 14.2744; 5.7321; 5.0616 90; 90; 90 | 414.152 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.902 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 40 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003734 | CIF | Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2501; 5.7263; 5.0767 90; 90; 90 | 414.26 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.714 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003733 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2445; 5.7265; 5.0789 90; 90; 90 | 414.292 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003738 | CIF | Fe0.791 Mn0.209 Nb1.9 O6 Ta0.1 | P b c n | 14.2733; 5.7317; 5.0646 90; 90; 90 | 414.336 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.898 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 800 C for t = 7 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003728 | CIF | Ca0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002 | P b c n | 14.2877; 5.7363; 5.0561 90; 90; 90 | 414.391 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil American Mineralogist, 2005, 90, 1291-1300 |
9003740 | CIF | Fe0.791 Mn0.209 Nb1.898 O6 Ta0.102 | P b c n | 14.2852; 5.7361; 5.0574 90; 90; 90 | 414.41 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 950 C for t = 3 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9007251 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.288; 5.7364; 5.0562 90; 90; 90 | 414.415 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 20 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003735 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.033 | P b c n | 14.2582; 5.729; 5.0748 90; 90; 90 | 414.536 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 650 C for t = 200 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003736 | CIF | Fe0.264 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.26; 5.7293; 5.0746 90; 90; 90 | 414.594 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.752 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 5 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003737 | CIF | Fe0.79 Mn0.209 Nb1.901 O6 Ta0.1 | P b c n | 14.2658; 5.7299; 5.0748 90; 90; 90 | 414.822 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003732 | CIF | Fe0.263 Mn0.07 Nb0.633 O2 Ta0.034 | P b c n | 14.2427; 5.729; 5.0856 90; 90; 90 | 414.967 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.618 from S. Jose de Safira, Minas Gerais, Brazil Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9001398 | CIF | Fe0.333 Nb0.5 O2 Ta0.167 | P b c n | 14.221; 5.727; 5.102 90; 90; 90 | 415.526 | Wenger, M.; Armbruster, T.; Geiger, C. A. Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina SAMPLE ncp1, T = 293 K American Mineralogist, 1991, 76, 1897-1904 |
9016333 | CIF | O6 Ta Ti Yb | P b c n | 14.5478; 5.5289; 5.1683 90; 90; 90 | 415.704 | Thorogood, G. J.; Avdeev, M.; Kennedy, B. J. Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide Solid State Sciences, 2010, 12, 1263-1269 |
9001397 | CIF | Fe0.333 Nb0.501 O2 Ta0.166 | P b c n | 14.189; 5.727; 5.12 90; 90; 90 | 416.053 | Wenger, M.; Armbruster, T.; Geiger, C. A. Cation distribution in partially ordered columbite from the Kings Mountain pegmatite, North Carolina sample NCP5, T = 100 K American Mineralogist, 1991, 76, 1897-1904 |
9014279 | CIF | Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 | P b c n | 14.3196; 5.7413; 5.0624 90; 90; 90 | 416.196 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
1540848 | CIF | Fe Nb1.54 O6 Ta0.46 | P b c n | 14.317; 5.74; 5.067 90; 90; 90 | 416.404 | Wenger, M.; Armbruster, T. Columbite (Fe,Mn)(Nb,Ta)2O6 in the pegmatites of the calc-alkine Bergell intrusion (southeast Central Alps) Schweizerische Mineralogische und Petrographische Mitteilungen, 1991, 71, 349-369 |
9003729 | CIF | Ca0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004 | P b c n | 14.3267; 5.7392; 5.0674 90; 90; 90 | 416.661 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar American Mineralogist, 2005, 90, 1291-1300 |
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