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 |
1539609 | CIF | Mn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42 | P b c n | 14.51; 5.558; 5.173 90; 90; 90 | 417.185 | Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N. Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure European Journal of Mineralogy (1,1989-), 1993, 5, 1161-1165 |
9005161 | CIF | Ca0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29 | P b c n | 14.51; 5.558; 5.173 90; 90; 90 | 417.185 | Aurisicchio, C.; Orlandi, P.; Pasero, M.; Perchiazzi, N. Uranopolycrase, the uranium-dominant analogue of polycrase-(Y), a new mineral from Elba Island, Italy, and its crystal structure European Journal of Mineralogy, 1993, 5, 1161-1165 |
9003730 | CIF | Ca0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014 | P b c n | 14.3434; 5.7415; 5.0665 90; 90; 90 | 417.24 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A. American Mineralogist, 2005, 90, 1291-1300 |
9007252 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.3191; 5.7482; 5.0713 90; 90; 90 | 417.414 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 300 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9014442 | CIF | O6 Ta Ti Tm | P b c n | 14.5706; 5.5339; 5.1832 90; 90; 90 | 417.933 | 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 |
9003743 | CIF | Ca0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.334; 5.737; 5.096 90; 90; 90 | 419.065 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.742 from Kragero, Norway Sample: Annealed at T = 530 C for t = 92 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003745 | CIF | Ca0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032 | P b c n | 14.352; 5.74; 5.09 90; 90; 90 | 419.317 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.844 from Kragero, Norway Sample: Annealed at T = 600 C for t = 177 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003744 | CIF | Ca0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.352; 5.74; 5.093 90; 90; 90 | 419.564 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.817 from Kragero, Norway Sample: Annealed at T = 600 C for t = 67 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
1531208 | CIF | Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 | P b c n | 14.5342; 5.5584; 5.1952 90; 90; 90 | 419.704 | Bonazzi, P.; Zoppi, M.; Dei, L. Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation European Journal of Mineralogy (1,1989-), 2002, 14, 141-150 |
9007254 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.386; 5.7478; 5.0797 90; 90; 90 | 420.029 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 20 C Locality: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003742 | CIF | Ca0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03 | P b c n | 14.344; 5.739; 5.105 90; 90; 90 | 420.245 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.674 from Kragero, Norway Sample: Annealed at T = 500 C for t = 15 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9007253 | CIF | Ca0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003 | P b c n | 14.3515; 5.761; 5.0833 90; 90; 90 | 420.282 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 600 C Locality: San Jose de Safira, Minas Gerais, Brazil Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9003746 | CIF | Ca0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032 | P b c n | 14.38; 5.745; 5.088 90; 90; 90 | 420.335 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.922 from Kragero, Norway Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003747 | CIF | Ca0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033 | P b c n | 14.38; 5.75; 5.084 90; 90; 90 | 420.371 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.960 from Kragero, Norway Sample: Annealed at T = 800 C for t = 15 m Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003731 | CIF | Ca0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08 | P b c n | 14.4003; 5.7501; 5.0784 90; 90; 90 | 420.508 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway American Mineralogist, 2005, 90, 1291-1300 |
9003741 | CIF | Ca0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028 | P b c n | 14.325; 5.744; 5.113 90; 90; 90 | 420.712 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=0.565 from Kragero, Norway Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
9003748 | CIF | Ca0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034 | P b c n | 14.395; 5.753; 5.083 90; 90; 90 | 420.946 | Tarantino S C; Zema M Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder American Mineralogist, 2005, 90, 1291-1300 |
2018855 | CIF | Ag N O5 Te | P b c n | 5.667; 14.202; 5.232 90; 90; 90 | 421.086 | Kazikowski, S.; Olsson, C.; Johansson, L.G. Structure of silver telluryl nitrate Ag Te O2 N O3. Acta Crystallographica C (39,1983-), 1988, 44, 427-429 |
8103683 | CIF | Mn O6 Ta2 | P b c n | 14.4219; 5.7513; 5.0816 90; 90; 90 | 421.492 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
1527451 | CIF | Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 | P b c n | 14.413; 5.76; 5.084 90; 90; 90 | 422.068 | 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 |
9004109 | CIF | Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 | P b c n | 14.413; 5.76; 5.084 90; 90; 90 | 422.068 | 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 Locality: Bernic lake, Manitoba, Canada The Canadian Mineralogist, 1976, 14, 540-549 |
9011434 | CIF | Nb O6 Ti Y | P b c n | 14.6432; 5.5528; 5.1953 90; 90; 90 | 422.434 | Weitzel, H.; Schrocke, H. Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4 Zeitschrift fur Kristallographie, 1980, 152, 69-82 |
8103682 | CIF | Mn Nb2 O6 | P b c n | 14.4236; 5.7609; 5.0839 90; 90; 90 | 422.436 | Weitzel, H. Kristallstrukturverfeinerung von Wolframiten und Columbiten Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258 |
9007255 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.4159; 5.7593; 5.0905 90; 90; 90 | 422.641 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 300 C Locality: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
1000326 | CIF | F12 In2 Li4 Zn | P b c n | 4.7496; 17.606; 5.0617 90; 90; 90 | 423.3 | Maguer, J J; Courbion, G A tri-$-alpha-PbO~2~ related structure:Li~4~ZnIn~2~F~12~ Journal of Solid State Chemistry, 1993, 103, 466-471 |
9015462 | CIF | Ho O6 Ta Ti | P b c n | 14.6236; 5.5637; 5.203 90; 90; 90 | 423.323 | 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 |
9007495 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.46 | Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A, 1976, 32, 587-591 |
1008745 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.5 | Klein, S; Weitzel, H Magnetische Struktur von Mn (Nb0.5 Ta0.5)2 O6, Manganotantalit Acta Crystallographica A (24,1968-38,1982), 1976, 32, 587-591 |
1521244 | CIF | Dy0.04 H0.08 Nb0.92 O6 Ti1.08 Y0.96 | P b c n | 14.6673; 5.5925; 5.1888 90; 90; 90 | 425.621 | Johnsen, O.; Stahl, K.; Petersen, O.V.; Micheelsen, H.I. Structure refinement of natural non-metamict polycrase-(Y) from Zomba-Malosa complex, Malawi Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1999, 1999, 1-10 |
9007256 | CIF | Ca0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001 | P b c n | 14.4508; 5.7741; 5.1025 90; 90; 90 | 425.754 | Tarantino S C; Zema M; Pistorino M; Domeneghetti M C High-temperature X-ray investigation of natural columbites Note: sample KRA5 at T = 600 C Sample: Kragero, Norway Physics and Chemistry of Minerals, 2003, 30, 590-598 |
9002032 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2178; 8.7039; 5.3119 90; 90; 90 | 426.178 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
9003434 | CIF | Mg O3 Si | P b c n | 9.154; 8.981; 5.185 90; 90; 90 | 426.27 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9002031 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2351; 8.731; 5.3216 90; 90; 90 | 429.089 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
2310966 | CIF | Mg O3 Si | P b c n | 9.25; 8.74; 5.32 90; 90; 90 | 430.095 | Smith, J.V. The crystal structure of proto-enstatite, Mg Si O3 Acta Crystallographica (1,1948-23,1967), 1959, 12, 515-519 |
1548549 | CIF | Mg O3 Si | P b c n | 9.25655; 8.73919; 5.31939 90; 90; 90 | 430.311 | Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364 |
1548550 | CIF | Mg O3 Si | P b c n | 9.2732; 8.7266; 5.3217 90; 90; 90 | 430.651 | Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K) Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364 |
9002030 | CIF | Li0.23 Mg1.54 O6 Sc0.23 Si2 | P b c n | 9.2554; 8.765; 5.3333 90; 90; 90 | 432.656 | Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M. A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6 American Mineralogist, 1999, 84, 245-256 |
9003433 | CIF | Mg O3 Si | P b c n | 9.199; 9.026; 5.211 90; 90; 90 | 432.67 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9000597 | CIF | Li0.3 Mg1.4 O6 Sc0.3 Si2 | P b c n | 9.251; 8.773; 5.377 90; 90; 90 | 436.392 | Smyth, J. R.; Ito, J. The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene American Mineralogist, 1977, 62, 1252-1257 |
1545542 | CIF | Mg O3 Si | P b c n | 9.34; 8.79; 5.36 90; 90; 90 | 440 | Sadanaga, R.; Okamura, F.P.; Takeda, H. X-ray study of the phase transformations of enstatite :Sample at 1100 C Mineralogical Journal, 1969, 6, 110-130 |
8104486 | CIF | Mg1.04 O3 Si | P b c n | 9.304; 8.902; 5.351 90; 90; 90 | 443.192 | Smyth, J.R. Protoenstatite. A crystal-structure refinement at 1100 C Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 262-274 |
9006341 | CIF | Mg O3 Si | P b c n | 9.306; 8.886; 5.36 90; 90; 90 | 443.235 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
9003432 | CIF | Mg O3 Si | P b c n | 9.268; 9.102; 5.255 90; 90; 90 | 443.298 | Thompson, R. M.; Downs, R. T. Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience American Mineralogist, 2004, 89, 614-628 |
9006342 | CIF | Mg O3 Si | P b c n | 9.315; 8.899; 5.365 90; 90; 90 | 444.727 | Yang, H.; Ghose, S. High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K Physics and Chemistry of Minerals, 1995, 22, 300-310 |
7241928 | CIF | C5 H12 | P b c n | 3.7996; 8.2477; 14.205 90; 90; 90 | 445.16 | Liu, X.; Pulham, C. R. Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane CrystEngComm, 2020, 22, 8251-8255 |
9000191 | CIF | Ca Nb2 O6 | P b c n | 14.926; 5.752; 5.204 90; 90; 90 | 446.786 | Cummings, J. P.; Simonsen, S. H. The crystal structure of calcium niobate (CaNb2O6) American Mineralogist, 1970, 55, 90-97 |
8104506 | CIF | Mg O3 Si | P b c n | 9.349; 8.929; 5.361 90; 90; 90 | 447.521 | Murakami, T.; Takeuchi, Y.; Yamanaka, T. X-ray studies on protoenstatite II. Effect of temperature on the structure up to near the incongruent melting point Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 263-275 |
1537545 | CIF | Mn O5 Se2 | P b c n | 6.797; 10.617; 6.3 90; 90; 90 | 454.632 | Koskenlinna, M.; Niinisto, L.; Valkonen, J. The crystal structure of manganese(II) diselenite Acta Chemica Scandinavica, Series A: (28,1974-), 1976, 30, 836-837 |
2207243 | CIF Paper | Mg O5 Te2 | P b c n | 7.2391; 10.658; 5.988 90; 90; 90 | 462 | Weil, Matthias Redetermination of MgTe~2~O~5~ Acta Crystallographica, Section E, 2005, 61, i237-i239 |
9007999 | CIF | Mg O5 Te2 | P b c n | 7.2391; 10.658; 5.988 90; 90; 90 | 462 | Weil, M. Redetermination of MgTe2O5 Acta Crystallographica, Section E, 2005, 61, i237-i239 |
9012269 | CIF | P Pd Se | P b c n | 13.594; 5.8317; 5.8583 90; 90; 90 | 464.423 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
2206888 | CIF Paper | C3 H6 N2 O2 | P b c n | 5.3602; 7.5178; 11.791 90; 90; 90 | 475.14 | Nichol, Gary S.; Clegg, William Malonamide: an orthorhombic polymorph Acta Crystallographica Section E, 2005, 61, o3427-o3429 |
9007921 | CIF | Mn O5 Te2 | P b c n | 7.3114; 10.9216; 6.1711 90; 90; 90 | 492.776 | Johnston, M. G.; Harrison, W. T. A. Manganese tellurite, beta-MnTe2O5 Acta Crystallographica, Section E, 2002, 58, i59-i61 |
2201243 | CIF | Mn O5 Te2 | P b c n | 7.3114; 10.9216; 6.1711 90; 90; 90 | 492.78 | Johnston, Magnus G.; Harrison, William T. A. Managanese tellurite, β-MnTe~2~O~5~ Acta Crystallographica, Section E, 2002, 58, i59-i61 |
1535691 | CIF | B6 H2 Ho4 O16 | P b c n | 12.9278; 4.362; 8.8713 90; 90; 90 | 500.262 | Huppertz, H. Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2 Journal of Solid State Chemistry, 2004, 177, 3700-3708 |
1535687 | CIF | B6 Dy4 H2 O16 | P b c n | 12.9266; 4.3711; 8.8763 90; 90; 90 | 501.542 | Huppertz, H. Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2 Journal of Solid State Chemistry, 2004, 177, 3700-3708 |
1530959 | CIF | F4 Na2 O2 W | P b c n | 5.074; 18.253; 5.437 90; 90; 90 | 503.552 | Vlasse, M.; Moutou, J.M.; Cervera-Marzal, M.; Chaminade, J.P.; Hagenmuller, P. Structure de Na2 W O2 F4 Revue de Chimie Minerale, 1982, 19, 58-64 |
2020594 | CIF HKL Paper | C4 H6 O3 | P b c n | 8.0707; 7.8733; 7.9305 90; 90; 90 | 503.93 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Acetic anhydride at 100K: the first crystal structure determination Acta Crystallographica Section C, 2016, 72, 753-757 |
1510039 | CIF | Ag3 S2 Tl | P b c n | 8.1597; 8.7932; 7.0278 90; 90; 90 | 504.244 | Elfwing, T.; Eriksson, L. Synthesis and crystal structure determination of TlAg~3~S~2~ Materials Science Forum, 1994, 683-686 |
1001835 | CIF | Ca Cl2 H4 O2 | P b c n | 5.893; 7.469; 12.07 90; 90; 90 | 531.3 | Leclaire, A.; Borel, M. M. Le dichlorure de calcium dihydrate Acta Crystallographica, Section B, 1977, 33, 1608-1610 |
1531861 | CIF | Ru2 Si3 | P b c n | 10.991; 8.905; 5.495 90; 90; 90 | 537.822 | Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1531873 | CIF | Os2 Si3 | P b c n | 11.094; 8.927; 5.551 90; 90; 90 | 549.75 | Migas, D.B.; Miglio, L.; Borisenko, V.E.; Shaposhnikov, V.L. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
7025369 | CIF | B2 Ge O8 Tb2 | P b c n | 13.484; 4.4107; 9.264 90; 90; 90 | 551 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025368 | CIF | B2 Gd2 Ge O8 | P b c n | 13.506; 4.417; 9.302 90; 90; 90 | 554.9 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025367 | CIF | B2 Eu2 Ge O8 | P b c n | 13.564; 4.435; 9.334 90; 90; 90 | 561.5 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7025366 | CIF | B2 Ge O8 Sm2 | P b c n | 13.606; 4.451; 9.367 90; 90; 90 | 567.3 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7222633 | CIF | Cl H8 N4 P | P b c n | 4.708; 16.223; 7.563 90; 90; 90 | 577.646 | Horstmann, S.; Schnick, W. Synthese, Kristallstruktur und Eigenschaften von Tetraaminophosphoniumchlorid (P(NH2)4)Cl Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 127-132 |
7025365 | CIF | B2 Ge Nd2 O8 | P b c n | 13.7041; 4.482; 9.4608 90; 90; 90 | 581.1 | Zhang, Jian-Han; Li, Pei-Xin; Mao, Jiang-Gao Ln2GeB2O8 (Ln = Nd, Sm-Tb): a series of luminescent lanthanide(III) borogermanates with a layered structure. Dalton transactions (Cambridge, England : 2003), 2010, 39, 5301-5305 |
7153432 | CIF | C7 H5 N O2 | P b c n | 5.1445; 14.134; 8.0639 90; 90; 90 | 586.35 | McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G. Pyrrolizine-1,3-dione. Organic & biomolecular chemistry, 2010, 8, 4383-4387 |
1531867 | CIF | Ge3 Ru2 | P b c n | 11.333; 9.158; 5.658 90; 90; 90 | 587.23 | Migas, D.B.; Borisenko, V.E.; Miglio, L.; Shaposhnikov, V.L. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
2003899 | CIF Paper | H2 O6 Pb Se2 | P b c n | 16.381; 6.111; 5.896 90; 90; 90 | 590.2 | Koskenlinna, M.; Valkonen, J. Lead(II) Hydrogenselenite Acta Crystallographica Section C, 1995, 51, 1737-1739 |
1531878 | CIF | Ge3 Os2 | P b c n | 11.407; 9.19; 5.709 90; 90; 90 | 598.476 | Migas, D.B.; Miglio, L.; Shaposhnikov, V.L.; Borisenko, V.E. Structural, electronic and optical properties of Ru2 Si3, Ru2 Ge3, Os2 Si3 and Os2 Ge3 Physica Status Solidi, Sectio B: Basic Research, 2002, 231, 171-180 |
1539224 | CIF | Ge3 Ru2 | P b c n | 11.436; 9.24; 5.718 90; 90; 90 | 604.213 | Voellenkle, H. Die Kristallstruktur von Ru2 Ge3 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1974, 105, 1217-1227 |
8103977 | CIF | Cl4 Na Sc | P b c n | 6.188; 15.543; 6.367 90; 90; 90 | 612.379 | Bohnsack, A.; Meyer, G.; Wickleder, M.S. Crystal structure of sodium tetrachloroscandate, Na Sc Cl4 Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 394-394 |
9010673 | CIF | Al F3 K2 O4 S | P b c n | 10.81; 8.336; 6.822 90; 90; 90 | 614.745 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Orlandi, P. Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z-coordinate of S altered The Canadian Mineralogist, 2008, 46, 693-700 |
1502676 | CIF | B H7 N2 | P b c n | 12.974; 5.0702; 9.5069 90; 90; 90 | 625.37 | Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A, 2010, 114, 10185-10196 |
4511758 | CIF | As K O3 | P b c n | 11.3246; 11.4255; 4.8816 90; 90; 90 | 631.63 | Stöger, Berthold; Dušek, Michal Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3 Crystal Growth & Design, 2014, 14, 4640 |
4344162 | CIF | Ce F6 H8 N2 | P b c n | 7.026; 12.098; 7.439 90; 90; 90 | 632.319 | Ryan, R.R.; Kruse, F.H.; Larson, A.C. Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6 Inorganic Chemistry, 1969, 8, 33-36 |
1530007 | CIF | H3 K O6 Se2 | P b c n | 16.15; 6.252; 6.298 90; 90; 90 | 635.908 | Gorbatyii, L.V.; Ponomarev, V.I.; Heiker, D.M. About the crystal structures of the trihydroselenates of potassium K H3 (Se O3)2 and of sodium Na H3 (Se O3)2 Kristallografiya, 1971, 16, 899-904 |
1527724 | CIF | D3 K O6 Se2 | P b c n | 16.176; 6.259; 6.309 90; 90; 90 | 638.758 | Lehmann, M.S.; Larsen, F.K. The hydrogen bond system in potassium trihydrogen bis-selenite, K H3 (Se O3)2, and in potassium trideuterio bis- selenite K D3 (Se O3)2, as determined by neutron diffraction Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 3859-3871 |
1530184 | CIF | Al F5 H10 N2 O | P b c n | 10.192; 8.037; 7.844 90; 90; 90 | 642.526 | Knop, O.; Cameron, T.S.; Deraniyagala, S.P.; Adhikesavalu, D.; Falk, M. ... Part XIII. Crystal structure of (N H4)2 (Al F5 (H2 O)) and N H3 D+ probe-ion spectra in (N H4)2 (Al F5 (H2 O)), N H4 Al F4 and (N H4)3 Zn Cl5 with remarks on structural filiation of AMF4 fluorides Canadian Journal of Chemistry, 1985, 63, 516-525 |
7103637 | CIF | C3 H4 N O | P b c n | 8.3253; 11.5995; 6.7148 90; 90; 90 | 648.44 | Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D. 1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct Chemical Communications (Cambridge, United Kingdom), 2003, 28-29 |
1534667 | CIF | Ba Cl4 Pd | P b c n | 6.867; 12.588; 7.5015 90; 90; 90 | 648.443 | Assoud, A.; Meyer, G. Ein neues Chloropalladat(II): Ba Pd Cl4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1246-1247 |
7103638 | CIF | C6 H8 N2 O2 | P b c n | 8.334; 11.605; 6.706 90; 90; 90 | 648.5 | Holbrey, John D.; Reichert, W. Matthew; Tkatchenko, Igor; Bouajila, Ezzedine; Walter, Olaf; Tommasi, Immacolata; Rogers, Robin D. 1,3-Dimethylimidazolium-2-carboxylate: the unexpected synthesis of an ionic liquid precursor and carbene-CO2 adduct Chemical Communications (Cambridge, United Kingdom), 2003, 28-29 |
1533962 | CIF | Al B O4 Pb | P b c n | 7.0423; 9.8989; 9.4281 90; 90; 90 | 657.243 | Park Hyun-Soo; Barbier, J.; Hammond, R.P. Crystal structure and polymorphism of Pb Al B O4 Solid State Sciences, 2003, 5, 565-571 |
1530802 | CIF | F5 Ga H10 N2 O | P b c n | 10.33; 8.054; 7.908 90; 90; 90 | 657.928 | Soldatov, E.N.; Tananaev, I.V.; Vorotilina, T.B.; Ilyukhin, V.V.; Kuz'min, E.A.; Drozdov, Yu.N. Crystal structure of ammonium monoaquapentafluorogallate (N H4)2 Ga F5 * H2 O Doklady Akademii Nauk SSSR, 1978, 241, 357-359 |
9001042 | CIF | Na2 O9 Si2 Ti2 | P b c n | 8.7128; 5.2327; 14.487 90; 90; 90 | 660.484 | Sundberg, M. R.; Lehtinen, M.; Kivekas, R. Refinement of the crystal structure of ramsayite (lorenzenite) American Mineralogist, 1987, 72, 173-177 |
8104440 | CIF | Cr F3 H10 O5 | P b c n | 10.396; 8.06; 7.965 90; 90; 90 | 667.401 | Herbstein, F.H.; Kapon, M.; Reisner, G.M. Crystal structures of chromium(III) fluoride trihydrate and chromium(III) fluoride pentahydrate. Structural chemistry of hydrated transition metal fluorides. Thermal decomposition of chromium(III) fluoride nonahydrate Zeitschrift fuer Kristallographie (149,1979-), 1985, 171, 209-224 |
2018339 | CIF HKL Paper | Cl2 H8 Mg O4 | P b c n | 7.2557; 8.4285; 11.0412 90; 90; 90 | 675.22 | Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O Acta Crystallographica Section C, 2012, 68, i4-i6 |
4314284 | CIF | C6 H6 N4 Ni | P b c n | 7.388; 8.755; 10.489 90; 90; 90 | 678.4 | Norberto Masciocchi; Fulvio Castelli; Paul M. Forster; Maya M. Tafoya; Anthony K. Cheetham Synthesis and Characterization of Two Polymorphic Crystalline Phases and an Amorphous Powder of Nickel(II) Bisimidazolate Inorganic Chemistry, 2003, 42, 6147-6152 |
1000235 | CIF | F5 Fe H10 N2 O | P b c n | 10.491; 8.09; 7.997 90; 90; 90 | 678.7 | Fourquet, J L; Plet, F; Calage, Y Crystal Structure and Magnetic Characterization of (N H~4~)~2~ Fe F~5~ (H~2~ O) Journal of Solid State Chemistry, 1988, 74, 34-38 |
1536520 | CIF | Ba Cl4 Zn | P b c n | 6.4899; 15.374; 6.8237 90; 90; 90 | 680.84 | Wickleder, C. Crystal structure, thermal behavior, and luminescence of Ba Zn Cl4 - II : Sm(2+) and comparison to Ba Zn Cl4 - I : Sm(2+) Journal of Solid State Chemistry, 2001, 162, 237-242 |
9013115 | CIF | Fe1.345 Mn0.559 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.919 | P b c n | 23.706; 5.723; 5.045 90; 90; 90 | 684.452 | Zhizhong, P.; Su, W.; Zhesheng, M.; Guangming, Y. The crystal structure of qitianlingite (Fe2Nb2WO10) Kexue Tongbao, 1988, 33, 856-861 |
2236787 | CIF HKL Paper | C6 H4 N4 S | P b c n | 3.9231; 13.8213; 12.6465 90; 90; 90 | 685.72 | Ziegler, Christopher J.; Nemykin, Victor N. 2,5-Diaminothiophene-3,4-dicarbonitrile Acta Crystallographica Section E, 2012, 68, o2693 |
6000272 | CIF | Ni7 P5 Si2 | P b c n | 23.84; 5.925; 4.922 90; 90; 90 | 695.24 | Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T. Preparation and crystal structure of the Ni7Si2P5 phosphide Zeitschrift für Kristallographie, 1999, 214, 337-340 |
7230340 | CIF | Bi2 O9 W2 | P b c n | 23.705; 5.4148; 5.4345 90; 90; 90 | 697.56 | Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties CrystEngComm, 2018, 20, 2669 |
2243691 | CIF HKL Paper | K Lu Mo2 O8 | P b c n | 5.0292; 18.2519; 7.8174 90; 90; 90 | 717.58 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
2019437 | CIF Paper | C4 N4 S3 | P b c n | 3.897; 16.881; 10.91 90; 90; 90 | 717.7 | Jones, Ray Three trithiadiazepines and a trithiatriazepine Acta Crystallographica Section C, 2014, 70, 60-66 |
9010405 | CIF | Al2 O9 Pb2 Si2 | P b c n | 6.8981; 10.6906; 9.7413 90; 90; 90 | 718.37 | Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G. Crystal structures of synthetic melanotekite (Pb2Fe2Si2O9), kentrolite (Pb2Mn2Si2O9), and the aluminum analogue (Pb2Al2Si2O9) American Mineralogist, 2008, 93, 573-583 |
2243690 | CIF HKL Paper | K Mo2 O8 Yb | P b c n | 5.0417; 18.3039; 7.8693 90; 90; 90 | 726.2 | Chong, Saehwa; Perry, Samuel; Riley, Brian J.; Nelson, Zayne J. Crystal structures and comparisons of potassium rare-earth molybdates K<i>RE</i>(MoO~4~)~2~ (<i>RE</i> = Tb, Dy, Ho, Er, Yb, and Lu) Acta Crystallographica Section E, 2020, 76, 1871-1875 |
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