Crystallography Open Database

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2104024 CIF
Paper		Ge O2P b c n4.0519; 5.0269; 4.5223
90; 90; 90		92.11Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki
Structural refinements of high-pressure phases in germanium dioxide
Acta Crystallographica Section B, 2003, 59, 701-708
9002782 CIFO2 SiP b c n4.097; 5.0462; 4.4946
90; 90; 90		92.923Dera, 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 CIFGe O2P b c n4.5792; 4.0956; 5.088
90; 90; 90		95.423Lodziana, 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 CIFC O2P b c n4.3441; 6.111; 4.285
90; 90; 90		113.753Park, 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 CIFO2 TiP b c n4.5337; 5.49959; 4.9037
90; 90; 90		122.266Spektor, 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 CIFO2 TiP b c n4.5318; 5.5019; 4.9063
90; 90; 90		122.331Grey, 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 CIFO2 TiP b c n4.515; 5.497; 4.939
90; 90; 90		122.581Simons, 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 CIFO2 ReP b c n4.8094; 5.6433; 4.6007
90; 90; 90		124.867Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 239-444
7243652 CIFFe2.667 O8 W1.333P b c n4.57964; 5.58662; 4.9692
90; 90; 90		127.136Quarez, 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 CIFFe2.67 O8 W1.33P b c n4.58111; 5.59297; 4.96249
90; 90; 90		127.149Caubergh, 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 CIFO2 Ti0.666 Zr0.334P b c n4.7112; 5.4944; 4.9962
90; 90; 90		129.328Troitzsch, 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 CIFO2 Ti0.65 Zr0.35P b c n4.72; 5.5078; 5.0018
90; 90; 90		130.031Troitzsch, 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 CIFO2 Ti0.6 Zr0.4P b c n4.7447; 5.4925; 5.0119
90; 90; 90		130.611Troitzsch, 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 CIFFe Nb O4P b c n4.6496; 5.6181; 5.0058
90; 90; 90		130.761Harrison, W.T.A.; Cheetham, A.K.
Structural and Magnetic Properties of Fe Nb O4-II
Materials Research Bulletin, 1989, 24, 523-527
9008307 CIFO2 Ti0.67 Zr0.33P b c n4.706; 5.553; 5.024
90; 90; 90		131.289Willgallis, 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 CIFO4 Ti ZrP b c n4.806; 5.447; 5.032
90; 90; 90		131.729Newnham, R.E.
Crystal structure of Zr Ti O4
Journal of the American Ceramic Society, 1967, 50, 216-216
1533881 CIFC V2P b c n4.567; 5.744; 5.026
90; 90; 90		131.846Khaenko, 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 CIFC V2P b c n4.57; 5.742; 5.026
90; 90; 90		131.887Arbuzov, 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 CIFO2 Ti0.548 Zr0.452P b c n4.7762; 5.501; 5.0253
90; 90; 90		132.034Troitzsch, 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 CIFNb0.5 O2 Ti0.25 Zn0.25P b c n4.67138; 5.65916; 5.00745
90; 90; 90		132.377Kumada, 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 CIFO2 Ti0.5 Zr0.5P b c n4.8042; 5.4825; 5.0313
90; 90; 90		132.5Bordet, 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 CIFO2 Ti0.5 Zr0.5P b c n4.8069; 5.4785; 5.0339
90; 90; 90		132.566Troitzsch, 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 CIFO2 Ti0.45 Zr0.55P b c n4.8349; 5.4801; 5.0439
90; 90; 90		133.642Troitzsch, 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 CIFO2 Ti0.425 Zr0.575P b c n4.8495; 5.4635; 5.0462
90; 90; 90		133.7Troitzsch, 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 CIFHf O4 TiP b c n4.758; 5.61; 5.072
90; 90; 90		135.384Harari, 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 CIFNb2.667 O8 Zn1.333P b c n4.7283; 5.7208; 5.0331
90; 90; 90		136.14Zhao, 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 CIFMn0.33 O2 Ta0.67P b c n4.7471; 5.7438; 5.148
90; 90; 90		140.367Tarakina, 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 CIFMn0.3 Nb0.24 O2 Ta0.42 Ti0.02P b c n4.785; 5.758; 5.16
90; 90; 90		142.168Grice, 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 CIFFe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02P b c n4.785; 5.758; 5.16
90; 90; 90		142.168Grice, 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 CIFC Mo2P b c n4.735; 6.025; 5.21
90; 90; 90		148.633Epicier, 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 CIFC Mo2P b c n4.732; 6.037; 5.204
90; 90; 90		148.663Norlund 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 CIFFe2 O3P b c n6.6428; 4.6003; 4.9263
90; 90; 90		150.542Rozenberg, 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 CIFO2 PbP b c n4.947; 5.951; 5.497
90; 90; 90		161.829Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York Note: known as alpha-PbO2
Crystal Structures, 1963, 1, 239-444
1531016 CIFO2 PbP b c n4.948; 5.951; 5.497
90; 90; 90		161.862Zaslavskii, 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 CIFMg O3 SiP b c n7.037; 6.928; 4
90; 90; 90		195.009Thompson, 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 CIFAl O4 TaP b c n4.473; 11.308; 4.775
90; 90; 90		241.523Ercit, 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 CIFAg F2P b c n5.476; 8.331; 5.787
90; 90; 90		264Grzelak, 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 LiP b c n4.752; 11.721; 4.971
90; 90; 90		276.88Gravereau, 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 CIFC H2 Cl2P b c n3.924; 7.793; 9.335
90; 90; 90		285.46Marcin 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 CIFCr O4 UP b c n4.871; 11.787; 5.053
90; 90; 90		290.1Bacmann, 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 CIFCr O4 UP b c n4.871; 11.787; 5.053
90; 90; 90		290.1Bacmann, 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 CIFC H2 Cl2P b c n3.984; 7.863; 9.357
90; 90; 90		293.12Marcin 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 CIFFe O4 UP b c n4.888; 11.937; 5.11
90; 90; 90		298.2Bachmann, 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 ClP b c n3.9929; 7.9351; 9.6808
90; 90; 90		306.73Podsiadło, 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 CIFRh2 S3P b c n8.462; 5.985; 6.138
90; 90; 90		310.859Parthe, 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 S3P b c n8.4672; 5.98537; 6.13921
90; 90; 90		311.131Yoshiasa, 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 S3P b c n8.4728; 6.01563; 6.1537
90; 90; 90		313.649Yoshiasa, 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 CIFF4 Na TiP b c n4.976; 5.755; 11.07
90; 90; 90		317.01Omaly, 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 ClP b c n4.1126; 8.0685; 9.755
90; 90; 90		323.7Podsiadło, 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 CIFGe Li Nd O4P b c n5.096; 11.923; 5.399
90; 90; 90		328.041Merinov, 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 SrP b c n12.0135; 4.339; 6.5864
90; 90; 90		343.33Kim, 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 CIFAl2.7 Fe Si2.3P b c n6.061; 6.061; 9.525
90; 90; 90		349.9Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.
FeAl~3~Si~2~
Acta Crystallographica Section C, 1995, 51, 177-179
4117100 CIFC3 F4P b c n8.282; 5.14; 8.268
90; 90; 90		352Basil 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 CIFO4 Sr TeP b c n5.605; 13.181; 5.003
90; 90; 90		369.6Lapasset, 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 CIFNa2 O4 TeP b c n5.798; 12.24; 5.214
90; 90; 90		370.025Kratochvil, B.; Jensovsky, L.
The crystal structure of sodium metatellurate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2596-2598
1528627 CIFBa N2 O2 Si2P b c n14.3902; 5.3433; 4.83254
90; 90; 90		371.58Kechele, 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 CIFC Ca2 F2 O3P b c n7.65; 7.55; 6.548
90; 90; 90		378.196Leufer, U.; Tillmanns, E.
Die kristallstruktur von brenkit, Ca2F2CO3
Tschermaks Mineralogische und Petrographische Mitteilungen, 1980, 27, 261-266
2310464 CIFFe2 O6 WP b c n4.576; 16.766; 4.967
90; 90; 90		381.074Pinto, 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 CIFD2 OP b c n8.3966; 5.4546; 8.3737
90; 90; 90		383.52Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.
Structure and nature of ice XIX
Nature Communications, 2021, 12, 3162
1008697 CIFO24 Ti7.24 Zr4.76P b c n14.3574; 5.3247; 5.02
90; 90; 90		383.8Bordet, 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 CIFCd K2 O2P b c n10.089; 6.186; 6.152
90; 90; 90		383.95Vielhaber, E.; Hoppe, R.
Ueber Oxocadmate: Die Kristallstruktur von K2 Cd O2
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 392, 209-217
9013659 CIFMg O3 SiP b c n9.177; 8.816; 4.812
90; 90; 90		389.312Jahn, 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 CIFLi2 O5 Si2P b c n5.683; 4.784; 14.648
90; 90; 90		398.242Smith, 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 CIFNb2 Ni O6P b c n14.0217; 5.6752; 5.015
90; 90; 90		399.073Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
2002316 CIFNb2 Ni O6P b c n14.032; 5.687; 5.033
90; 90; 90		401.6Wichmann, 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 CIFNb1.76 O6 V0.24 ZnP b c n14.113; 5.693; 5.025
90; 90; 90		403.7Waburg, 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 CIFMg0.857 Nb1.714 O6 Ti0.429P b c n14.136; 5.681; 5.042
90; 90; 90		404.906Bruno, 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 CIFF O5 Ti2 YbP b c n14.366; 5.48; 5.148
90; 90; 90		405.28Lobkovskaya, 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 CIFCu Nb2 O6P b c n14.097; 5.613; 5.123
90; 90; 90		405.4Norwig, 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 CIFLi O6 Sb WP b c n4.6664; 17.4435; 4.9941
90; 90; 90		406.5Le 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 CIFMg Nb2 O6P b c n14.1875; 5.7001; 5.0331
90; 90; 90		407.028Pagola, 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 CIFO6 Ta2 ZnP b c n4.702; 17.09399; 5.07
90; 90; 90		407.5Waburg, 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 CIFCo Nb2 O6P b c n14.1475; 5.712; 5.0446
90; 90; 90		407.657Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
2002361 CIFNb1.16 O6 Ta0.84 ZnP b c n4.71; 17.103; 5.072
90; 90; 90		408.6Waburg, 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 CIFFe0.794 Mn0.067 Nb1.578 O6 Sc0.047 Sn0.015 Ta0.078 Ti0.335 W0.044P b c n14.174; 5.692; 5.065
90; 90; 90		408.636Okrusch, 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 CIFCu0.36 Nb2 O6 Zn0.64P b c n14.187; 5.73; 5.031
90; 90; 90		409Norwig, 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 CIFNb2 O6 ZnP b c n14.208; 5.726; 5.04
90; 90; 90		410Waburg, 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 CIFMg O3 SiP b c n9.171; 8.513; 5.254
90; 90; 90		410.194Jahn, S.; Martonak, R.
Phase behavior of protoenstatite at high pressure studied by atomistic simulations Locality: theoretical structure
American Mineralogist, 2009, 94, 950-956
8103681 CIFFe Nb2 O6P b c n14.2448; 5.7276; 5.0421
90; 90; 90		411.377Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
1008356 CIFFe Nb2 O6P b c n14.2661; 5.7334; 5.0495
90; 90; 90		413Bordet, 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 CIFMn0.333 O6 Ta2 Zn0.667P b c n4.73; 17.15399; 5.093
90; 90; 90		413.2Rohweder, 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 CIFLu O6 Ta TiP b c n14.5288; 5.5226; 5.1572
90; 90; 90		413.797Thorogood, 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 CIFFe Nb1.2 O6 Ta0.8P b c n14.2737; 5.73543; 5.0554
90; 90; 90		413.864dos 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 CIFFe0.791 Mn0.209 Nb1.9 O6 Ta0.1P b c n14.2744; 5.7321; 5.0616
90; 90; 90		414.152Tarantino 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 CIFFe0.263 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2501; 5.7263; 5.0767
90; 90; 90		414.26Tarantino 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 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2445; 5.7265; 5.0789
90; 90; 90		414.292Tarantino 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 CIFFe0.791 Mn0.209 Nb1.9 O6 Ta0.1P b c n14.2733; 5.7317; 5.0646
90; 90; 90		414.336Tarantino 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 CIFCa0.001 Fe0.202 Mn0.767 Nb1.91 O6 Sc0.001 Sn0.001 Ta0.08 Ti0.036 W0.002P b c n14.2877; 5.7363; 5.0561
90; 90; 90		414.391Tarantino 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 CIFFe0.791 Mn0.209 Nb1.898 O6 Ta0.102P b c n14.2852; 5.7361; 5.0574
90; 90; 90		414.41Tarantino 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 CIFCa0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003P b c n14.288; 5.7364; 5.0562
90; 90; 90		414.415Tarantino 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 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.033P b c n14.2582; 5.729; 5.0748
90; 90; 90		414.536Tarantino 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 CIFFe0.264 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.26; 5.7293; 5.0746
90; 90; 90		414.594Tarantino 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 CIFFe0.79 Mn0.209 Nb1.901 O6 Ta0.1P b c n14.2658; 5.7299; 5.0748
90; 90; 90		414.822Tarantino 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 CIFFe0.263 Mn0.07 Nb0.633 O2 Ta0.034P b c n14.2427; 5.729; 5.0856
90; 90; 90		414.967Tarantino 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 CIFFe0.333 Nb0.5 O2 Ta0.167P b c n14.221; 5.727; 5.102
90; 90; 90		415.526Wenger, 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 CIFO6 Ta Ti YbP b c n14.5478; 5.5289; 5.1683
90; 90; 90		415.704Thorogood, 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 CIFFe0.333 Nb0.501 O2 Ta0.166P b c n14.189; 5.727; 5.12
90; 90; 90		416.053Wenger, 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 CIFFe0.09 Mn0.88 Nb0.28 O6 Ta1.72P b c n14.3196; 5.7413; 5.0624
90; 90; 90		416.196dos 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 CIFFe Nb1.54 O6 Ta0.46P b c n14.317; 5.74; 5.067
90; 90; 90		416.404Wenger, 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 CIFCa0.001 Fe0.462 Mn0.476 Nb1.806 O6 Sc0.045 Sn0.004 Ta0.086 Ti0.116 W0.004P b c n14.3267; 5.7392; 5.0674
90; 90; 90		416.661Tarantino 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 CIFMn0.06 Nb0.84 O6 Ta0.16 Th0.06 Ti0.96 U0.46 Y0.42P b c n14.51; 5.558; 5.173
90; 90; 90		417.185Aurisicchio, 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 CIFCa0.02 Mn0.03 Nb0.36 Nd0.01 O6 Ta0.12 Th0.07 Ti1.46 U0.62 Y0.29P b c n14.51; 5.558; 5.173
90; 90; 90		417.185Aurisicchio, 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 CIFCa0.001 Fe0.534 Mn0.457 Nb1.836 O6 Sn0.001 Ta0.094 Ti0.063 W0.014P b c n14.3434; 5.7415; 5.0665
90; 90; 90		417.24Tarantino 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 CIFCa0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003P b c n14.3191; 5.7482; 5.0713
90; 90; 90		417.414Tarantino 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 CIFO6 Ta Ti TmP b c n14.5706; 5.5339; 5.1832
90; 90; 90		417.933Thorogood, 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 CIFCa0.008 Fe0.14 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.334; 5.737; 5.096
90; 90; 90		419.065Tarantino 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 CIFCa0.009 Fe0.14 Mn0.785 Nb1.775 O6 Ta0.177 Ti0.032P b c n14.352; 5.74; 5.09
90; 90; 90		419.317Tarantino 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 CIFCa0.008 Fe0.141 Mn0.785 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.352; 5.74; 5.093
90; 90; 90		419.564Tarantino 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 CIFCa0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5P b c n14.5342; 5.5584; 5.1952
90; 90; 90		419.704Bonazzi, 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 CIFCa0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001P b c n14.386; 5.7478; 5.0797
90; 90; 90		420.029Tarantino 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 CIFCa0.008 Fe0.142 Mn0.786 Nb1.775 O6 Ta0.178 Ti0.03P b c n14.344; 5.739; 5.105
90; 90; 90		420.245Tarantino 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 CIFCa0.001 Fe0.747 Mn0.215 Nb1.894 O6 Sc0.003 Sn0.001 Ta0.094 Ti0.027 W0.003P b c n14.3515; 5.761; 5.0833
90; 90; 90		420.282Tarantino 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 CIFCa0.009 Fe0.141 Mn0.783 Nb1.775 O6 Ta0.178 Ti0.032P b c n14.38; 5.745; 5.088
90; 90; 90		420.335Tarantino 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 CIFCa0.009 Fe0.14 Mn0.783 Nb1.774 O6 Ta0.179 Ti0.033P b c n14.38; 5.75; 5.084
90; 90; 90		420.371Tarantino 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 CIFCa0.008 Fe0.806 Mn0.148 Nb1.802 O6 Sc0.001 Sn0.003 Ta0.152 Ti0.08P b c n14.4003; 5.7501; 5.0784
90; 90; 90		420.508Tarantino 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 CIFCa0.009 Fe0.141 Mn0.789 Nb1.775 O6 Ta0.178 Ti0.028P b c n14.325; 5.744; 5.113
90; 90; 90		420.712Tarantino 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 CIFCa0.01 Fe0.14 Mn0.782 Nb1.778 O6 Ta0.178 Ti0.034P b c n14.395; 5.753; 5.083
90; 90; 90		420.946Tarantino 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 CIFAg N O5 TeP b c n5.667; 14.202; 5.232
90; 90; 90		421.086Kazikowski, 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 CIFMn O6 Ta2P b c n14.4219; 5.7513; 5.0816
90; 90; 90		421.492Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
1527451 CIFMn0.97 Nb0.72 O6 Ta1.28 Ti0.03P b c n14.413; 5.76; 5.084
90; 90; 90		422.068Grice, 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 CIFFe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02P b c n14.413; 5.76; 5.084
90; 90; 90		422.068Grice 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 CIFNb O6 Ti YP b c n14.6432; 5.5528; 5.1953
90; 90; 90		422.434Weitzel, H.; Schrocke, H.
Kristallstrukturverfeinerungen von euxenit, Y(Nb0.5Ti0.5)2O6, und M-fergusonit, YNbO4
Zeitschrift fur Kristallographie, 1980, 152, 69-82
8103682 CIFMn Nb2 O6P b c n14.4236; 5.7609; 5.0839
90; 90; 90		422.436Weitzel, H.
Kristallstrukturverfeinerung von Wolframiten und Columbiten
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1976, 144, 238-258
9007255 CIFCa0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001P b c n14.4159; 5.7593; 5.0905
90; 90; 90		422.641Tarantino 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 CIFF12 In2 Li4 ZnP b c n4.7496; 17.606; 5.0617
90; 90; 90		423.3Maguer, 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 CIFHo O6 Ta TiP b c n14.6236; 5.5637; 5.203
90; 90; 90		423.323Thorogood, 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 CIFMn Nb O6 TaP b c n14.418; 5.76; 5.099
90; 90; 90		423.46Klein, S.; Weitzel, H.
Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure
Acta Crystallographica, Section A, 1976, 32, 587-591
1008745 CIFMn Nb O6 TaP b c n14.418; 5.76; 5.099
90; 90; 90		423.5Klein, 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 CIFDy0.04 H0.08 Nb0.92 O6 Ti1.08 Y0.96P b c n14.6673; 5.5925; 5.1888
90; 90; 90		425.621Johnsen, 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 CIFCa0.009 Fe0.138 Mn0.792 Nb1.794 O6 Sc0.002 Sn0.003 Ta0.166 Ti0.077 W0.001P b c n14.4508; 5.7741; 5.1025
90; 90; 90		425.754Tarantino 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 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2178; 8.7039; 5.3119
90; 90; 90		426.178Yang, 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 CIFMg O3 SiP b c n9.154; 8.981; 5.185
90; 90; 90		426.27Thompson, 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 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2351; 8.731; 5.3216
90; 90; 90		429.089Yang, 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 CIFMg O3 SiP b c n9.25; 8.74; 5.32
90; 90; 90		430.095Smith, J.V.
The crystal structure of proto-enstatite, Mg Si O3
Acta Crystallographica (1,1948-23,1967), 1959, 12, 515-519
1548549 CIFMg O3 SiP b c n9.25655; 8.73919; 5.31939
90; 90; 90		430.311Kanzaki, M.; Xue, X.
Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction
Journal of Mineralogical and Petrological Sciences, 2017, 112, 359-364
1548550 CIFMg O3 SiP b c n9.2732; 8.7266; 5.3217
90; 90; 90		430.651Kanzaki, 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 CIFLi0.23 Mg1.54 O6 Sc0.23 Si2P b c n9.2554; 8.765; 5.3333
90; 90; 90		432.656Yang, 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 CIFMg O3 SiP b c n9.199; 9.026; 5.211
90; 90; 90		432.67Thompson, 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 CIFLi0.3 Mg1.4 O6 Sc0.3 Si2P b c n9.251; 8.773; 5.377
90; 90; 90		436.392Smyth, J. R.; Ito, J.
The synthesis and crystal structure of a magnesium-lithium-scandium protopyroxene
American Mineralogist, 1977, 62, 1252-1257
1545542 CIFMg O3 SiP b c n9.34; 8.79; 5.36
90; 90; 90		440Sadanaga, 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 CIFMg1.04 O3 SiP b c n9.304; 8.902; 5.351
90; 90; 90		443.192Smyth, J.R.
Protoenstatite. A crystal-structure refinement at 1100 C
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 262-274
9006341 CIFMg O3 SiP b c n9.306; 8.886; 5.36
90; 90; 90		443.235Yang, 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 CIFMg O3 SiP b c n9.268; 9.102; 5.255
90; 90; 90		443.298Thompson, 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 CIFMg O3 SiP b c n9.315; 8.899; 5.365
90; 90; 90		444.727Yang, 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 CIFC5 H12P b c n3.7996; 8.2477; 14.205
90; 90; 90		445.16Liu, X.; Pulham, C. R.
Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane
CrystEngComm, 2020, 22, 8251-8255
9000191 CIFCa Nb2 O6P b c n14.926; 5.752; 5.204
90; 90; 90		446.786Cummings, J. P.; Simonsen, S. H.
The crystal structure of calcium niobate (CaNb2O6)
American Mineralogist, 1970, 55, 90-97
8104506 CIFMg O3 SiP b c n9.349; 8.929; 5.361
90; 90; 90		447.521Murakami, 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 CIFMn O5 Se2P b c n6.797; 10.617; 6.3
90; 90; 90		454.632Koskenlinna, 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 Te2P b c n7.2391; 10.658; 5.988
90; 90; 90		462Weil, Matthias
Redetermination of MgTe~2~O~5~
Acta Crystallographica, Section E, 2005, 61, i237-i239
9007999 CIFMg O5 Te2P b c n7.2391; 10.658; 5.988
90; 90; 90		462Weil, M.
Redetermination of MgTe2O5
Acta Crystallographica, Section E, 2005, 61, i237-i239
9012269 CIFP Pd SeP b c n13.594; 5.8317; 5.8583
90; 90; 90		464.423Foecker, 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 O2P b c n5.3602; 7.5178; 11.791
90; 90; 90		475.14Nichol, Gary S.; Clegg, William
Malonamide: an orthorhombic polymorph
Acta Crystallographica Section E, 2005, 61, o3427-o3429
9007921 CIFMn O5 Te2P b c n7.3114; 10.9216; 6.1711
90; 90; 90		492.776Johnston, M. G.; Harrison, W. T. A.
Manganese tellurite, beta-MnTe2O5
Acta Crystallographica, Section E, 2002, 58, i59-i61
2201243 CIFMn O5 Te2P b c n7.3114; 10.9216; 6.1711
90; 90; 90		492.78Johnston, Magnus G.; Harrison, William T. A.
Managanese tellurite, β-MnTe~2~O~5~
Acta Crystallographica, Section E, 2002, 58, i59-i61
1535691 CIFB6 H2 Ho4 O16P b c n12.9278; 4.362; 8.8713
90; 90; 90		500.262Huppertz, 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 CIFB6 Dy4 H2 O16P b c n12.9266; 4.3711; 8.8763
90; 90; 90		501.542Huppertz, 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 CIFF4 Na2 O2 WP b c n5.074; 18.253; 5.437
90; 90; 90		503.552Vlasse, 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 O3P b c n8.0707; 7.8733; 7.9305
90; 90; 90		503.93Seidel, 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 CIFAg3 S2 TlP b c n8.1597; 8.7932; 7.0278
90; 90; 90		504.244Elfwing, T.; Eriksson, L.
Synthesis and crystal structure determination of TlAg~3~S~2~
Materials Science Forum, 1994, 683-686
1001835 CIFCa Cl2 H4 O2P b c n5.893; 7.469; 12.07
90; 90; 90		531.3Leclaire, A.; Borel, M. M.
Le dichlorure de calcium dihydrate
Acta Crystallographica, Section B, 1977, 33, 1608-1610
1531861 CIFRu2 Si3P b c n10.991; 8.905; 5.495
90; 90; 90		537.822Migas, 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 CIFOs2 Si3P b c n11.094; 8.927; 5.551
90; 90; 90		549.75Migas, 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 CIFB2 Ge O8 Tb2P b c n13.484; 4.4107; 9.264
90; 90; 90		551Zhang, 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 CIFB2 Gd2 Ge O8P b c n13.506; 4.417; 9.302
90; 90; 90		554.9Zhang, 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 CIFB2 Eu2 Ge O8P b c n13.564; 4.435; 9.334
90; 90; 90		561.5Zhang, 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 CIFB2 Ge O8 Sm2P b c n13.606; 4.451; 9.367
90; 90; 90		567.3Zhang, 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 CIFCl H8 N4 PP b c n4.708; 16.223; 7.563
90; 90; 90		577.646Horstmann, 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 CIFB2 Ge Nd2 O8P b c n13.7041; 4.482; 9.4608
90; 90; 90		581.1Zhang, 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 CIFC7 H5 N O2P b c n5.1445; 14.134; 8.0639
90; 90; 90		586.35McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.
Pyrrolizine-1,3-dione.
Organic & biomolecular chemistry, 2010, 8, 4383-4387
1531867 CIFGe3 Ru2P b c n11.333; 9.158; 5.658
90; 90; 90		587.23Migas, 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 Se2P b c n16.381; 6.111; 5.896
90; 90; 90		590.2Koskenlinna, M.; Valkonen, J.
Lead(II) Hydrogenselenite
Acta Crystallographica Section C, 1995, 51, 1737-1739
1531878 CIFGe3 Os2P b c n11.407; 9.19; 5.709
90; 90; 90		598.476Migas, 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 CIFGe3 Ru2P b c n11.436; 9.24; 5.718
90; 90; 90		604.213Voellenkle, H.
Die Kristallstruktur von Ru2 Ge3
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1974, 105, 1217-1227
8103977 CIFCl4 Na ScP b c n6.188; 15.543; 6.367
90; 90; 90		612.379Bohnsack, A.; Meyer, G.; Wickleder, M.S.
Crystal structure of sodium tetrachloroscandate, Na Sc Cl4
Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 394-394
9010673 CIFAl F3 K2 O4 SP b c n10.81; 8.336; 6.822
90; 90; 90		614.745Demartin, 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 CIFB H7 N2P b c n12.974; 5.0702; 9.5069
90; 90; 90		625.37Mebs, 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 CIFAs K O3P b c n11.3246; 11.4255; 4.8816
90; 90; 90		631.63Stöger, Berthold; Dušek, Michal
Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3
Crystal Growth & Design, 2014, 14, 4640
4344162 CIFCe F6 H8 N2P b c n7.026; 12.098; 7.439
90; 90; 90		632.319Ryan, 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 CIFH3 K O6 Se2P b c n16.15; 6.252; 6.298
90; 90; 90		635.908Gorbatyii, 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 CIFD3 K O6 Se2P b c n16.176; 6.259; 6.309
90; 90; 90		638.758Lehmann, 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 CIFAl F5 H10 N2 OP b c n10.192; 8.037; 7.844
90; 90; 90		642.526Knop, 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 CIFC3 H4 N OP b c n8.3253; 11.5995; 6.7148
90; 90; 90		648.44Holbrey, 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 CIFBa Cl4 PdP b c n6.867; 12.588; 7.5015
90; 90; 90		648.443Assoud, A.; Meyer, G.
Ein neues Chloropalladat(II): Ba Pd Cl4
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1246-1247
7103638 CIFC6 H8 N2 O2P b c n8.334; 11.605; 6.706
90; 90; 90		648.5Holbrey, 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 CIFAl B O4 PbP b c n7.0423; 9.8989; 9.4281
90; 90; 90		657.243Park Hyun-Soo; Barbier, J.; Hammond, R.P.
Crystal structure and polymorphism of Pb Al B O4
Solid State Sciences, 2003, 5, 565-571
1530802 CIFF5 Ga H10 N2 OP b c n10.33; 8.054; 7.908
90; 90; 90		657.928Soldatov, 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 CIFNa2 O9 Si2 Ti2P b c n8.7128; 5.2327; 14.487
90; 90; 90		660.484Sundberg, M. R.; Lehtinen, M.; Kivekas, R.
Refinement of the crystal structure of ramsayite (lorenzenite)
American Mineralogist, 1987, 72, 173-177
8104440 CIFCr F3 H10 O5P b c n10.396; 8.06; 7.965
90; 90; 90		667.401Herbstein, 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 O4P b c n7.2557; 8.4285; 11.0412
90; 90; 90		675.22Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang
Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O
Acta Crystallographica Section C, 2012, 68, i4-i6
4314284 CIFC6 H6 N4 NiP b c n7.388; 8.755; 10.489
90; 90; 90		678.4Norberto 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 CIFF5 Fe H10 N2 OP b c n10.491; 8.09; 7.997
90; 90; 90		678.7Fourquet, 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 CIFBa Cl4 ZnP b c n6.4899; 15.374; 6.8237
90; 90; 90		680.84Wickleder, 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 CIFFe1.345 Mn0.559 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.919P b c n23.706; 5.723; 5.045
90; 90; 90		684.452Zhizhong, 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 SP b c n3.9231; 13.8213; 12.6465
90; 90; 90		685.72Ziegler, Christopher J.; Nemykin, Victor N.
2,5-Diaminothiophene-3,4-dicarbonitrile
Acta Crystallographica Section E, 2012, 68, o2693
6000272 CIFNi7 P5 Si2P b c n23.84; 5.925; 4.922
90; 90; 90		695.24Oryshchyn, 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 CIFBi2 O9 W2P b c n23.705; 5.4148; 5.4345
90; 90; 90		697.56Tian, 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 O8P b c n5.0292; 18.2519; 7.8174
90; 90; 90		717.58Chong, 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 S3P b c n3.897; 16.881; 10.91
90; 90; 90		717.7Jones, Ray
Three trithiadiazepines and a trithiatriazepine
Acta Crystallographica Section C, 2014, 70, 60-66
9010405 CIFAl2 O9 Pb2 Si2P b c n6.8981; 10.6906; 9.7413
90; 90; 90		718.37Dorsam, 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 YbP b c n5.0417; 18.3039; 7.8693
90; 90; 90		726.2Chong, 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
2243689 CIF
HKL
Paper		Er K Mo2 O8P b c n5.0602; 18.1965; 7.892
90; 90; 90		726.68Chong, 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
7206221 CIFC5 H5 Br2 N3P b c n12.267; 11.93; 4.9664
90; 90; 90		726.8Pilati, Tullio; Cozzi, Franco
Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers
CrystEngComm, 2011, 13, 4549
2243687 CIF
HKL
Paper		Dy K Mo2 O8P b c n5.0776; 18.1214; 7.9428
90; 90; 90		730.84Chong, 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
2243688 CIF
HKL
Paper		Ho K Mo2 O8P b c n5.077; 18.161; 7.934
90; 90; 90		731.5Chong, 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
2227193 CIF
HKL
Paper		Al2 Ca2 O9 Sn2P b c n8.9866; 5.4894; 14.903
90; 90; 90		735.18Yamane, Hisanori; Abe, Shunsuke; Tu, Rong; Goto, Takashi
A ramsayite-type oxide, Ca~2~Sn~2~Al~2~O~9~
Acta Crystallographica Section E, 2010, 66, i72
2243686 CIF
HKL
Paper		K Mo2 O8 TbP b c n5.0826; 18.1273; 7.9875
90; 90; 90		735.92Chong, 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
9002206 CIFH8 Na O8 Si2P b c n4.946; 20.502; 7.275
90; 90; 90		737.706Garvie, L. A. J.; Devouard, B.; Groy, T. L.; Camara, F.; Buseck, P. R.
Crystal structure of kanemite, NaHSi2O5.3H2O, from the Aris phonolite, Namibia
American Mineralogist, 1999, 84, 1170-1175
9005380 CIFH6 Na O8 Si2P b c n4.946; 20.51; 7.277
90; 90; 90		738.197Vortmann, S.; Rius, J.; Marler, B.; Gies, H.
Structure solution from powder data of the hydrous layer silicate kanemite, a precursor of the industrial ion exchanger SKS-6
European Journal of Mineralogy, 1999, 11, 125-134
7234030 CIFGd K Mo2 O8P b c n5.11465; 18.0858; 8.046
90; 90; 90		744.275Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.
Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)
CrystEngComm, 2019, 21, 6460
1532785 CIFLi2 O10 U W2P b c n7.9372; 12.786; 7.4249
90; 90; 90		753.516Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F.
Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology
Journal of Solid State Chemistry, 2004, 177, 1681-1694
7015931 CIFC2 H0.5 Mn O4.25P b c n9.01; 7.117; 11.755
90; 90; 90		753.8Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Hao, Xiang; Zhu, Daoben
Mn(C(2)O(4))(H(2)O)(0.25): an antiferromagnetic oxalato-based cage compound.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 5430-5432
2007470 CIF
Paper		C7 H12 O4P b c n7.7068; 10.1645; 9.691
90; 90; 90		759.2Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip
1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane
Acta Crystallographica Section C, 1998, 54, 1019-1023
7100916 CIFC6 H4 Br2 O3P b c n5.4011; 12.8974; 10.9478
90; 90; 90		762.63A. Nangia; Binoy K. Saha
First example of ice-like boat water hexamer tape structure in a supramolecular organic host
Chemical Communications, 2006
9001361 CIFFe0.32 Mn1.68 O9 Pb2 Si2P b c n6.961; 11.018; 9.964
90; 90; 90		764.202Moore, P. B.; Sen Gupta, P. K.; Shen, J.; Schlemper, E. O.
The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical crystallographic relations, lone-pair splitting, and cation relation to 8URe2
American Mineralogist, 1991, 76, 1389-1399
2101482 CIF
Paper		C7 H3 N3 O4P b c n13.081; 9.027; 6.545
90; 90; 90		772.8Britton, D.; Cramer, C. J.
Structures of four <i>o</i>-nitrobenzonitriles
Acta Crystallographica Section B, 1996, 52, 344-351
9010403 CIFFe2 O9 Pb2 Si2P b c n6.9788; 11.0164; 10.0881
90; 90; 90		775.586Dorsam, 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
7062688 CIFF2 Mg2 O7 Pb2 Si2P b c n7.0395; 10.9134; 10.0979
90; 90; 90		775.77Zhang, Zhiyuan; Deng, Lihan; Xu, Die; Hu, Mei; Wu, Zhencheng; Su, Xin; Huang, Yineng
Mg2Pb2Si2O7F2: a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge
New Journal of Chemistry, 2023, 47, 17413-17419
1000330 CIFC2 Ba2 F3 O6 YP b c n9.458; 6.966; 11.787
90; 90; 90		776.6Mercier, N; Leblanc, M
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735
2214284 CIF
HKL
Paper		C9 H5 N O3P b c n5.0654; 18.8003; 8.1609
90; 90; 90		777.17Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova
The pyridinium-betaine of squaric acid
Acta Crystallographica Section E, 2007, 63, o3259-o3259
7036337 CIF
HKL		Mo2 O8 Rb SmP b c n5.09838; 18.97424; 8.04487
90; 90; 90		778.24V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin
Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates
Dalton Transactions, 2015, 44, 1805-1815
4127195 CIFF Fe Li0.885 Na0.726 O4 PP b c n5.0137; 13.9038; 11.1839
90; 90; 90		779.62Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.
The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.
Journal of the American Chemical Society, 2018
2106227 CIFH10 N2 O7 UP b c n5.789; 11.55; 11.666
90; 90; 90		780.023Adrian, H.W.W.; van Tets, A.
A low temperature neutron and X-ray diffraction study of U O2 (N H2 O)2 (H2 O)3
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2997-3000
1000331 CIFC2 Ba2 F3 Gd O6P b c n9.513; 6.978; 11.864
90; 90; 90		787.6Mercier, N; Leblanc, M
Synthesis and crystal structure of fluorocarbonates Ba~2~M(CO~3~)~2~F~3~ (M=Y,Gd)
European Journal of Solid State Inorganic Chemistry, 1991, 28, 727-735
1529268 CIF
HKL		Mo2 O8 Rb SmP b c n5.1431; 18.8195; 8.1641
90; 90; 90		790.21Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh.
Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2
Materials Letters, 2013, 106, 26
7709412 CIFAl2 B3 F3 O8 Pb2P b c n9.8591; 8.6238; 9.3131
90; 90; 90		791.83Jiang, Bao; Shu, Shan; Yang, Zhihua; Zhang, Fangfang; Zhang, Min; Pan, Shilie
Pb2Al2B3O8F3: Structure and Properties of a New Fluoroaluminoborate with Non-traditional Chain-like B3O8 Group
Dalton Transactions, 2022
1547306 CIFC10 H8 O2P b c n9.49; 11.322; 7.377
90; 90; 90		792.6Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C.
Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors
Polym. Chem., 2017
4501308 CIFC8 H7 N O4P b c n3.6585; 14.7575; 14.6863
90; 90; 90		792.92Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro
Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors
Crystal Growth & Design, 2011, 11, 4305
4002307 CIFH2 I2 O9 UP b c n8.452; 7.707; 12.271
90; 90; 90		799.328Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.
Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions
Chemistry of Materials (1,1989-), 2001, 13, 1266-1272
1529436 CIF
HKL		Mo2 Nd O8 RbP b c n5.1772; 18.7293; 8.2474
90; 90; 90		799.71V.V. Atuchin; O.D. Chimitova; T.A. Gavrilova; M.S. Molokeev; Sung-Jin Kim; N.V. Surovtsev; B.G. Bazarov
Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)2
Journal of Crystal Growth, 2011, 318, 683-686
7014371 CIFAl1.4 N9.6 Nd O0.4 Si5.6P b c n9.306; 9.7224; 8.8777
90; 90; 90		803.22Huang, Saifang; Huang, Zhaohui; Liu, Yan-gai; Fang, Minghao
Crystal structure of NdSi(6-z)Al(1+z)O(z)N(10-z) (z = 0.4) determined by single-crystal X-ray diffraction.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1261-1266
2011898 CIF
HKL
Paper		C6 H10 O4 SeP b c n8.5981; 5.1355; 18.2159
90; 90; 90		804.33Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.
3,3'-Selenobis(propionic acid)
Acta Crystallographica Section C, 2001, 57, 439-440
7156506 CIFC6 H6 N8 O2P b c n8.0308; 7.8229; 12.8172
90; 90; 90		805.23Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
1008828 CIF
Paper		Fe1.78 Ge2.11 Mg0.11 O9 Pb2P b c n7.1486; 11.163; 10.145
90; 90; 90		809.6Barbier, J; Levy, D
Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite
Acta Crystallographica Section C, 1998, 54, 2-5
2006975 CIFFe1.78 Ge2.11 Mg0.11 O9 Pb2P b c n7.1486; 11.163; 10.145
90; 90; 90		809.6Barbier, Jacques; Lévy, David
Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite
Acta Crystallographica Section C, 1998, 54, 02-05
7058576 CIFB4 H4 K2 O9P b c n10.205; 6.629; 12.045
90; 90; 90		814.8Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks
New Journal of Chemistry, 2019, 43, 11660
1559469 CIFC8 H12 N2 O2P b c n15.072; 7.9873; 6.841
90; 90; 90		823.55Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo
Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data
Crystals, 2020, 10, 894
4127196 CIFF Fe Na O4 PP b c n5.1288; 14.0853; 11.404
90; 90; 90		823.83Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.
The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.
Journal of the American Chemical Society, 2018
4305279 CIFC8 H8 Cu4 N6 O2P b c n8.1953; 7.5577; 13.4593
90; 90; 90		833.64Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten
Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide
Inorganic Chemistry, 2008, 47, 5866-5872
1510398 CIFAu2 Eu4 O9P b c n11.8241; 5.9922; 11.8013
90; 90; 90		836.15Jansen, M.; Figulla-Kroschel, C.
Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184
2021793 CIF
HKL
Paper		C6 H8 Cu N2 O4 SP b c n7.0852; 7.2052; 16.431
90; 90; 90		838.81Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw
Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine
Acta Crystallographica Section C, 2019, 75
7203980 CIFCo F Na2 O4 PP b c n5.2475; 13.795; 11.689
90; 90; 90		846.2Sanz, Francisca; Parada, Carmen; Ruíz-Valero, Caridad
Crystal growth, crystal structure and magnetic properties of disodium cobalt fluorophosphate
Journal of Materials Chemistry, 2001, 11, 208
1532231 CIFCa H4 O10 P2 Zn2P b c n17.149; 7.412; 6.667
90; 90; 90		847.432Taxer, K.J.
Die Kristallstruktur des Minerals Scholzit
Naturwissenschaften, 1971, 58, 192-192
1532168 CIFF Mg Na2 O4 PP b c n5.223; 13.818; 11.749
90; 90; 90		847.942Swafford, S.H.; Holt, E.M.
New synthetic approaches to monophosphate fluoride ceramics: synthesis and structural characterization of Na2 Mg (P O4) F and Sr5 (P O4)3 F
Solid State Sciences, 2002, 4, 807-812
1510453 CIFAu2 O9 Sm4P b c n11.8689; 6.036; 11.8469
90; 90; 90		848.72Figulla-Kroschel, C.; Jansen, M.
Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184
9009277 CIFCa0.5 H2 O5 P ZnP b c n17.16399; 7.415; 6.673
90; 90; 90		849.279Hill, R. J.; Johnson, J. E.; Jones, J. B.
Scholzite and other phosphate minerals from Reaphook Hill, South Australia
Neues Jahrbuch fur Mineralogie, Monatshefte, 1973, 1973, 1-8
1530113 CIFFe H Na2 O5 PP b c n5.227; 13.861; 11.774
90; 90; 90		853.043Kabalov, Yu.K.; Belov, N.V.; Simonov, M.A.
The crystal structure of sodium iron orthophosphate Na2 Fe (P O4) (O H)
Doklady Akademii Nauk SSSR, 1974, 215, 850-853
2020836 CIF
HKL
Paper		C12 H9 FP b c n5.6462; 20.739; 7.292
90; 90; 90		853.9Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
4344284 CIFFe2 Mo P12P b c n13.725; 5.672; 11.092
90; 90; 90		863.492Floerke, U.; Jeitschko, W.
Preparation, physical properties, and crystal structure of Mo Fe2 P12 and W Fe2 P12
Inorganic Chemistry, 1983, 22, 1736-1739
7020819 CIFC3 H14 N2 O5 P2P b c n11.5649; 8.9009; 8.3936
90; 90; 90		864.02David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan
Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 2414-2422
7214420 CIFC3 H9 NP b c n23.287; 6.2354; 5.9794
90; 90; 90		868.23Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon
Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines
CrystEngComm, 2014, 16, 3867
7209407 CIFAu2 Gd4 O9P b c n11.922; 6.1242; 11.917
90; 90; 90		870.092Steiner, C.; Range, K.J.; Andratschke, M.
Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 811-816
7209410 CIFAu2 Nd4 O9P b c n11.938; 6.126; 11.928
90; 90; 90		872.321Range, K.J.; Steiner, C.; Andratschke, M.
Hochdrucksynthese und Kristallstruktur von Nd4 Au2 O9 und Gd4 Au2 O9
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 811-816
2223599 CIF
HKL
Paper		C10 H6 S2P b c n10.6325; 10.8713; 7.56
90; 90; 90		873.85Harcourt, Emily M.; Lynch, Daniel E.; Hamilton, Darren G.
Bis(2-thienyl)acetylene
Acta Crystallographica Section E, 2009, 65, o2484
2311433 CIF
Paper		C9 H6 O S2P b c n3.9464; 11.5015; 19.297
90; 90; 90		875.88Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin
Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1560-1562
2107194 CIFAu Cl4 H4 K O2P b c n11.639; 10.012; 7.548
90; 90; 90		879.566Theobald, F.R.; Omrani, H.
Structure du Tetrachloroaurate(III) de Potassium Dihydrate
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2932-2935
4306749 CIFCa7 Ge N6P b c n10.826; 6.194; 13.121
90; 90; 90		879.8Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick
Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations
Inorganic Chemistry, 2008, 47, 12018-12023
1510450 CIFAu2 Nd4 O9P b c n11.9813; 6.1474; 11.9641
90; 90; 90		881.202Figulla-Kroschel, C.; Jansen, M.
Darstellung, Kristallstrukturen und Eigenschaften von Ln4 Au2 O9 (Ln= Nd, Sm, Eu)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 2178-2184
7056743 CIFC4 H6 N6 Ni S2P b c n8.109; 14.882; 7.304
90; 90; 90		881.4Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.
Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies
New Journal of Chemistry, 2017
2230975 CIF
HKL
Paper		Li2 O12 P3 Ti2P b c n12.0344; 8.5795; 8.6794
90; 90; 90		896.14Kee, Yongho; Lee, Seoung-Soo; Yun, Hoseop
The mixed-valent titanium phosphate, Li~2~Ti~2~(PO~4~)~3~, dilithium dititanium(III/IV) tris(orthophosphate)
Acta Crystallographica, Section E, 2011, 67, i49-i49
2020217 CIFLi2 Mg2 O12 S3P b c n12.165; 8.538; 8.689
90; 90; 90		902.481Touboul, M.; Quarton, M.; Lokaj, J.; Kettmann, V.
Structure of dilithium dimagnesium trisulfate
Acta Crystallographica C (39,1983-), 1988, 44, 1887-1889
2015607 CIF
HKL
Paper		C7 H7 I2 NP b c n7.6194; 14.6296; 8.1057
90; 90; 90		903.53Pugh, David
2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine
Acta Crystallographica Section C, 2006, 62, o590-o592
1001642 CIFK2 Mo2 O11 P2P b c n9.314; 8.8679; 10.954
90; 90; 90		904.8Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B
A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7
Journal of Solid State Chemistry, 1995, 114, 481-485
1526463 CIFLi2.78 O12 P3 V1.8 Zr0.2P b c n12.1005; 8.6539; 8.6546
90; 90; 90		906.28Sato, M.; Ohkawa, H.; Yoshida, K.; Saito, M.; Uematsu, K.; Toda, K.
Enhancement of discharge capacity of Li3 V2 (P O4)3 by stabilizing the orthorhombic phase at room temperature
Solid State Ionics, 2000, 135, 137-142
4030508 CIFNb1.5 O12 P3 Sb0.5P b c n12.0769; 8.6732; 8.7293
90; 90; 90		914.354Jouanneaux, A.; Fitch, A. N.; Oyetola, S.; Verbaere, A.; Guyomard, D.; Piffard, Y.
The (MIII1/2M'V3/3)(PO4)3 compounds, M = Sb, Nd, Eu, Bi; M' = Sb, Nb, Ta. Preparation and structure
European Journal of Solid State and Inorganic Chemistry, 1993, 30, 125-137
1517730 CIFNb1.91 O12 P2.82P b c n12.0819; 8.6848; 8.7452
90; 90; 90		917.62Zah-Letho, J.J.; Verbaere, A.; Jouanneaux, A.; Taulelle, F.; Piffard, Y.; Tournoux, M.
"Nb2-x P3-y O12", a novel Nb(V) oxophosphate with disordered cation vacancies in a Sc2 (W O4)3 - type structure
Journal of Solid State Chemistry, 1995, 116, 335-342
2203357 CIF
HKL
Paper		F5 H2 Na O UP b c n6.9928; 8.7617; 15.0426
90; 90; 90		921.64Andreas Fischer; Zoltán Szabó
Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O
Acta Crystallographica Section E, 2004, 60, i45-i46
1510442 CIFAu2 La4 O9P b c n12.1216; 6.3199; 12.1067
90; 90; 90		927.462Ralle, M.; Jansen, M.
Darstellung und Kristallstruktur des neuen Lanthanaurates La4 Au2 O9
Journal of Alloys Compd., 1994, 203, 7-13
2007471 CIF
Paper		C9 H12 O4P b c n10.175; 9.6082; 9.577
90; 90; 90		936.3Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip
1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane
Acta Crystallographica Section C, 1998, 54, 1019-1023
1561400 CIFF2 Mn2 O7 Rb2 V2P b c n7.4389; 11.574; 10.914
90; 90; 90		939.7Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.
Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F
Journal of Solid State Chemistry, 2016, 241, 30-37
7059404 CIFCs Mg2 O10 P3P b c n7.881; 8.6992; 13.7382
90; 90; 90		941.87Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Synthesis, structure and characterization of three new Mg-containing phosphates with deep-UV cut-off edges
New Journal of Chemistry, 2020, 44, 6771-6777
2211189 CIF
HKL
Paper		C4 H8 Co N5 O7P b c n8.4127; 11.366; 9.859
90; 90; 90		942.7Rubin-Preminger, Janice M.; Englert, Ulli
<i>trans</i>-Aquabis(glyoximato-κ^2^<i>N</i>,<i>N</i>')nitrocobalt(III)
Acta Crystallographica Section E, 2006, 62, m2972-m2973
7701361 CIFLi Mo O6 PP b c n12.1141; 8.9251; 8.7389
90; 90; 90		944.85Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng
Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6
Dalton Transactions, 2019
4323142 CIFC2 H8 B10 F4P b c n6.808; 11.777; 11.856
90; 90; 90		950.6Konstantin A. Lyssenko; Mikhail Yu. Antipin; Viatcheslav N. Lebedev
Topological Analysis of the Electron Density Distribution in the Crystal of 8,9,10,12-Tetrafluoro-o-carborane on the Basis of the High-Resolution X-ray Diffraction Data at 120 K
Inorganic Chemistry, 1998, 37, 5834-5843
1504371 CIFC5 H7 O2P b c n9.062; 9.216; 11.411
90; 90; 90		953Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504370 CIFC5 H7 O2P b c n9.064; 9.227; 11.456
90; 90; 90		958.1Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504372 CIFC5 H7 O2P b c n9.079; 9.247; 11.464
90; 90; 90		962.4Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504375 CIFC10 H14 O4P b c n9.0859; 9.2413; 11.465
90; 90; 90		962.7Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
2227845 CIF
HKL
Paper		C8 H8 Na2 O8P b c n8.9053; 8.6395; 12.527
90; 90; 90		963.8Wu, Jiang; Zhu, Hong-lin
Poly[[μ~10~-2,3-bis(carboxymethyl)butanedioato]disodium]
Acta Crystallographica Section E, 2010, 66, m1419
1504373 CIFC5 H7 O2P b c n9.099; 9.225; 11.495
90; 90; 90		964.9Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
4511941 CIFC8 In N O8P b c n9.60049; 9.03411; 11.17851
90; 90; 90		969.53Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert
Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework
Crystal Growth & Design, 2014, 14, 5310
2242167 CIF
HKL
Paper		Fe Mn2 O12 P3 SrP b c n6.4304; 17.8462; 8.4906
90; 90; 90		974.37Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)
Acta Crystallographica Section E, 2017, 73, 767-770
1518113 CIFCr3 O12 Tl2P b c n12.869; 8.716; 8.6989
90; 90; 90		975.7Riou, A.; Gerault, Y.; Cudennec, Y.
Determination structurale du chromate de thallium trivalent Tl2(CrO4)3
Revue de Chimie Minerale, 1986, 23, 70-79
6000166 CIFH2 N3 O11 Rb ZrP b c n10.126; 16.492; 5.855
90; 90; 90		977.77Benard-Rocherulle, P.; Louer, D.
Ab initio structure determination of new mixed zirconium hydroxide nitrates ZrM(OH)(2)(NO3)(3) (M = K, Rb) from X-ray powder diffraction data
Journal of Solid State Chemistry, 2000, 149, 167-175
7157812 CIFC8 H10 O4 S2P b c n10.1116; 12.9234; 7.4954
90; 90; 90		979.47Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.
Organic & biomolecular chemistry, 2021, 19, 446-456
1530585 CIFO12 P2 S Zr2P b c n12.3742; 8.867; 8.951
90; 90; 90		982.122Piffard, Y.; Verbaere, A.; Kinoshita, M.
beta- Zr2 (P O4)2 (S O4): A zirconium phosphato-sulfate with a Sc2 (W O4)3 structure. A comparison between garnet, Nasicon and Sc2 (W O4)3 structure types
Journal of Solid State Chemistry, 1987, 71, 121-130
2214521 CIF
HKL
Paper		C6 H14 N2 O4 ZnP b c n12.1335; 7.7866; 10.4078
90; 90; 90		983.32Kim, Young-Inn; Lee, You-Soon; Seo, Hoe-Joo; Kang, Sung Kwon
Diacetato(ethylenediamine)zinc(II)
Acta Crystallographica Section E, 2007, 63, m2239-m2240
1561401 CIFCs2 F2 Mn2 O7 V2P b c n7.5615; 11.745; 11.127
90; 90; 90		988.2Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.
Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F
Journal of Solid State Chemistry, 2016, 241, 30-37
2242166 CIF
HKL
Paper		Ba Fe Mn2 O12 P3P b c n6.5899; 17.6467; 8.5106
90; 90; 90		989.7Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Crystal structures of two alkaline earth (<i>M</i> = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)
Acta Crystallographica Section E, 2017, 73, 767-770
2103338 CIF
Paper		C8 H10 Cu O7P b c n6.874; 22.9815; 6.2999
90; 90; 90		995.23Kaduk, James A.
Terephthalate salts of dipositive cations
Acta Crystallographica Section B, 2002, 58, 815-822
1504374 CIFC5 H7 O2P b c n9.12; 9.359; 11.817
90; 90; 90		1008.6Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
2014407 CIF
Paper		C6 H10 N2 S2 SnP b c n14.449; 5.5526; 12.66
90; 90; 90		1015.7Britton, Doyle
Dimethyl- and diethyldithiocyanatotin(IV)
Acta Crystallographica Section C, 2006, 62, m93-m94
1000481 CIFBa F5 Fe H2 OP b c n10.314; 7.317; 13.463
90; 90; 90		1016Fourquet, J L; Duroy, H
Crystal Structures of Ba Fe F5 * H2 O
European Journal of Solid State Inorganic Chemistry, 1989, 26, 413-418
2243437 CIFC12 H14 O3P b c n12.9747; 10.5449; 7.48
90; 90; 90		1023.39Fortes, A. Dominic
Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion
Acta Crystallographica Section E, 2020, 76, 1062-1069
7226675 CIFC10 H12 N2 O4P b c n15.589; 5.2685; 12.4962
90; 90; 90		1026.32Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul
Pyridine N-oxides as coformers in the development of drug cocrystals
CrystEngComm, 2016, 18, 8454
7214421 CIFC4 H11 NP b c n26.7852; 6.8166; 5.6703
90; 90; 90		1035.31Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon
Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines
CrystEngComm, 2014, 16, 3867
1530782 CIFLi Lu O8 S2P b c n12.575; 9.051; 9.138
90; 90; 90		1040.05Sirotinkin, S.P.; Pokrovskii, A.N.; Kovba, L.M.
Crystal structures of certain double and simple rare earth sulfates
Kristallografiya, 1981, 26, 385-389
2229774 CIF
HKL
Paper		C5 H8 N8 S2P b c n6.415; 7.314; 22.204
90; 90; 90		1041.8Wei, Wei; Xia, Zheng-qiang; Chen, San-ping; Gao, Sheng-li
Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane
Acta Crystallographica Section E, 2011, 67, o999
4031377 CIFH6 S Si2P b c n8.14; 14.76; 8.68
90; 90; 90		1042.87Barrow, M.J.; Ebsworth, E.A.V.
Crystal and molecular structures of disilyl sulphide (at 120 K) and of disilyl selenide (at 125 K) and comparison with crystalline disilyl oxide
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1982, 1982, 211-216
4306748 CIFGe N6 Sr7P b c n11.526; 6.5866; 13.836
90; 90; 90		1050.4Sebastian C. Junggeburth; Oliver Oeckler; Dirk Johrendt; Wolfgang Schnick
Nitridogermanate Nitrides Sr7[GeN4]N2 and Ca7[GeN4]N2: Synthesis Employing Sodium Melts, Crystal Structure, and Density-Functional Theory Calculations
Inorganic Chemistry, 2008, 47, 12018-12023
1542162 CIFC4 Cu Hg N4 S4P b c n9.03; 7.68; 15.15
90; 90; 90		1050.66Porai-Koshits, M.A.
Structural Features of Crystals of Some Rhodanide Compounds with Divalent Nickel and Copper
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1963, 4, 584-593

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