Crystallography Open Database

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1536783 CIFCu La2 O4.12F m m m5.33794; 5.4106; 13.2155
90; 90; 90
381.683Radaelli, P.G.; Wagner, J.L.; Jorgensen, J.D.; Hunter, B.A.; Schultz, A.J.; Chou, F.C.; Johnston, D.C.
Structure of the superconducting La2 Cu O4+delta phases (delta=0.08, 0.12) prepared by electrochemical oxidation
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 499-510
1537101 CIFBi Fe O6.1 Pb Sr2F m m m5.425; 5.49; 23.22
90; 90; 90
691.567Fries, T.; Mayer von Kuerthy, G.; Ehmann, A.; Wischert, W.; Kemmler-Sack, S.
The system Bi Pb Sr2 Fe(1-x) T(x) O(6+z) (T= Co, Ni)
Journal of the Less-Common Metals, 1990, 159, 337-341
1537353 CIFCs2 Pt3 S4F m m m10.86; 13.6; 6.39
90; 90; 90
943.777Guenther, O.; Bronger, W.
Cs2 Pt3 S4 und Rb2 Pt3 S4, Synthese und Struktur
Journal of the Less-Common Metals, 1973, 31, 255-262
1538252 CIFPt3 Rb2 S4F m m m6.39; 10.84; 13.3
90; 90; 90
921.259Gunther, O.; Bronger, W.
Cs2 Pt3 S4 und Rb2 Pt3 S4, Synthese und Struktur
Journal of the Less-Common Metals, 1973, 31, 255-255
1539149 CIFBi1.8 Ca1.2 Cu2.2 O8.22 Sr1.8F m m m5.39; 5.39; 30.725
90; 90; 90
892.626Sampathkumaran, E.V.; Shibuya, T.; Suzuki, A.; Kohn, K.; Tohdake, A.; Ishikawa, M.
Absence of solid solution of the type Y (Ba2-x Rex) Cu3 O7±s and its possible implications.
Japanese Journal of Applied Physics, Part 2, 1988, 27, 584-586
1539518 CIFAl10 Ca4 H58.24 Na0.72 O101.12 Si26F m m m13.616; 18.238; 17.835
90; 90; 90
4428.94Akizuki, M.; Kudoh, Y.; Satoh, Y.
Crystal structure of the orthorhombic (001) growth sector of stilbite
European Journal of Mineralogy (1,1989-), 1993, 5, 839-843
1539581 CIFP6 Rb4F m m m9.641; 14.629; 9.01
90; 90; 90
1270.75von Schnering, H.G.; Meyer, T.; Hoenle, W.; Schmettow, W.; Kliche, G.; Hinze, U.; Bauhofer, W.
Tetrarubidiumhexaphosphid und Tetracaesiumhexaphosphid: Darstellung, Struktur und Eigenschaften von Rb4 P6 und Cs4 P6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1987, 553, 261-279
1539583 CIFCs4 P6F m m m9.972; 14.999; 9.438
90; 90; 90
1411.64von Schnering, H.G.; Hoenle, W.; Meyer, T.; Hinze, U.; Schmettow, W.; Kliche, G.; Bauhofer, W.
Tetrarubidiumhexaphosphid und Tetracaesiumhexaphosphid: Darstellung, Struktur und Eigenschaften von Rb4 P6 und Cs4 P6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1987, 553, 261-279
1540178 CIFLa2 Ni O4.18F m m m5.4614; 5.4723; 12.7138
90; 90; 90
379.97Jorgensen, J.D.; Dabrowski, B.; Richards, D.R.; Pei, S.; Hinks, D.G.
Structure of the interstitial oxygen defect in La2 Ni O4+delta
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1989, 40, 2187-2199
1541087 CIFBa2 Cu O6.1 Tl2F m m m5.4604; 5.4848; 23.2038
90; 90; 90
694.935Parise, J.B.; Torardi, C.C.; Subramanian, M.A.; Gopalakrishnan, J.; Sleight, A.W.; Prince, E.
Superconducting Tl2 Ba2 Cu O6+d: A high resolution neutron powder and single crystal x-ray diffraction investigation
Physica C (Amsterdam), 1989, 159, 239-244
1541710 CIFF0.76 Na0.76 O6.24 Ti2.24 Zn1.76F m m m5.752; 11.294; 16.689
90; 90; 90
1084.17Mayer, M.; de Roy, A.; Perez, G.
Etude structurale de la phase Na1-x Zn2-x Ti2+x O6+x F1-x
Revue de Chimie Minerale, 1976, 13, 540-548
1546304 CIFC5 H13 N O44 Si22F m m m22.232; 15.058; 13.627
90; 90; 90
4562Marler, B.; Dehnbostel, N.; Eulert, H. -H.; Gies, H.; Liebau, F.
Studies on clathrasils VIII. Nonasils-[4158], 88SiO2.8M8.8M9.4M20 : synthesis, thermal properties, and crystal structure
Journal of Inclusion Phenomena, 1986, 4, 339-349
1552287 CIFC18 H10 N O4 ZnF m m m10.7494; 16.2516; 18.7137
90; 90; 90
3269.2Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len
CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling
Chemical Science, 2019
1552288 CIFC18 H10 N O4 ZnF m m m10.7054; 16.2225; 18.7784
90; 90; 90
3261.2Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len
CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling
Chemical Science, 2019
1552367 CIFCu0.6 Ni0.4 O4 Pr2F m m m5.429; 5.42; 12.582
90; 90; 90
370.2Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T.
Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor
Journal of the Ceramic Society of Japan, 2019, 127, 678-687
1562674 CIFCd6.589 Pd2.054F m m m4.687; 9.9995; 14.14
90; 90; 90
662.7Jana, Partha Pratim; Lidin, Sven
Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system
Journal of Solid State Chemistry, 2013, 201, 244-249
1572875 CIFC6 H18 Cl4 Cu N2 O3 Si2F m m m10.2369; 20.4352; 33.981
90; 90; 90
7108.6Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.
Leveraging Ordered Voids in Microporous Perovskites for Intercalation and Post-Synthetic Modification
Chemical Science, 2024
2002590 CIFBa2 Cu3 Na O6F m m m8.4229; 11.4418; 14.4063
90; 90; 90
1388.4Tams, G; Mueller-Buschbaum, Hk
Das erste Alkali-Erdalkali-Oxocuprat (II,III): Na Ba2 (Cu2+)2 (Cu3+) O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 617, 19-22
2002614 CIFBa2 Ca O6 Pd3F m m m8.717; 11.47; 14.933
90; 90; 90
1493.1Sonne, P; Mueller-Buschbaum, Hk
Zur Kenntnis eines Erdalkalimetall-Oxopalladats(II) mit ringfoermigen Pd6 O12-Baugruppen: Ca Ba2 Pd3 O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1004-1006
2002617 CIFBa2 Na Ni3 O6F m m m8.31; 11.22; 14.397
90; 90; 90
1342.4Strunk, M; Mueller-Buschbaum, Hk
Das erste Alkali-Erdalkalimetall-Oxoniccolat(II,III): Na Ba2 (Ni2+)2 (Ni3+) O6
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 343-346
2002666 CIFBa2 Cu3 Li O6F m m m8.219; 11.52; 14.284
90; 90; 90
1352.5Tams, G; Mueller-Buschbaum, Hk; Lang, Ch
Notiz zur Kristallchemie von Li Ba2 Cu3 O6
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 681-683
2101124 CIF
Paper
C42 H88F m m m5.02; 7.711; 58.6
90.8; 89.6; 90.01
2268Gerson, A. R.; Nyburg, S. C.
Structures of two binary <i>n</i>-alkane solid solutions
Acta Crystallographica Section B, 1994, 50, 252-256
2106152 CIFBi0.32 Cu4 O8 Sr7.68F m m m11.4712; 13.3765; 3.9316
90; 90; 90
603.282Jensen, A.F.; Petricek, V.; Larsen, F.K.; McCarron, E.M.
Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. II. The structur structure of (M2' Cu2 O3)7 (Cu O2)10, M'= Bi0.04 Sr0.96
Acta Crystallographica B (39,1983-), 1997, 53, 113-124
2106599 CIFBa Cu K2 N6 O12F m m m11.219; 10.728; 10.685
90; 90; 90
1286.02Takagi, S.; Joesten, M.D.
Potassium barium hexanitrocuprate(II) at 295 K
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 596-598
2106600 CIFCu K2 N6 O12 SrF m m m10.4301; 10.4621; 10.9368
90; 90; 90
1193.43Takagi, S.; Joesten, M.D.; Lenhert, P.G.
Potassium strontium hexanitrocuprate(II) and potassium strontium hexanitronickelate(II)
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2524-2526
2106877 CIFO2F m m m4.2151; 2.9567; 6.6897
90; 90; 90
83.372Schiferl, D.; Cromer, D.T.; Schwalbe, L.A.; Mills, R.L.
Structure of 'Orange' 18O2 at 9.6 GPa and 297 K
Acta Crystallographica B (39,1983-), 1983, 39, 153-157
2106890 CIFCu N6 O12 Pb Rb2F m m m10.8296; 10.8196; 10.6113
90; 90; 90
1243.35Takagi, S.; Joesten, M.D.; Lenhert, P.G.
The structure of two crystals of rubidium lead hexanitrocuprate(II)
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1278-1281
2229261 CIF
HKL
Paper
Cs2 Pd3 Se6 UF m m m10.1034; 15.5046; 17.5503
90; 90; 90
2749.2Oh, George N.; Ibers, James A.
Cs~2~UPd~3~Se~6~
Acta Crystallographica Section E, 2011, 67, i9
3000393 On hold until 2022-11-20O153.94 Pb11.41 Si72F m m m13.6261; 17.9186; 17.709
90; 90; 90
4323.8Cametti, Georgia; Roos, Diana; Prieur, Damien; Scheinost, Andreas; Churakov, Sergey
To be published in Scientific Reports
3000394 On hold until 2022-11-20O207.83 Pb12.33 Si72F m m m13.6119; 18.1833; 17.846
90; 90; 90
4417.1Cametti, Georgia; Roos, Diana; Prieur, Damien; Scheinost, Andreas; Churakov, Sergey
To be published in Scientific Reports
4000747 CIFO6.88 Rb4F m m m6.3028; 6.25587; 5.81797
90; 90; 90
229.4Riyadi, Syarif; Giriyapura, Shivakumara; de Groot, Robert A.; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.; Blake, Graeme R.
Ferromagnetic Order from p-Electrons in Rubidium Oxide
Chemistry of Materials, 2011, 23, 1578
4002516 CIFCo0.35 Cu0.65 O2F m m m2.801; 6.29; 10.573
90; 90; 90
186.278Lambert, S.; Grebille, D.
A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)
Chemistry of Materials (1,1989-), 2002, 14, 4904-4909
4002517 CIFCa0.82F m m m3.391; 6.29; 10.573
90; 90; 90
225.516Lambert, S.; Grebille, D.
A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)
Chemistry of Materials (1,1989-), 2002, 14, 4904-4909
4003033 CIFC108 H64 O32 Zr6F m m m16.1063; 28.5501; 40.9518
90; 90; 90
18831.1Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong
All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways
Chemistry of Materials, 2019, 31, 5550
4003035 CIFC108 H64 O32 Zr6F m m m16.0688; 28.8004; 41.0306
90; 90; 90
18988.5Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong
All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways
Chemistry of Materials, 2019, 31, 5550
4101528 CIF
HKL
O38 Si19F m m m27.7508; 25.2969; 13.7923
90; 90; 90
9682.3Dorset, Douglas L; Kennedy, Gordon J; Strohmaier, Karl G; Diaz-Cabañas, Maria J; Rey, Fernando; Corma, Avelino
P-derived organic cations as structure-directing agents: synthesis of a high-silica zeolite (ITQ-27) with a two-dimensional 12-ring channel system.
Journal of the American Chemical Society, 2006, 128, 8862-8867
4106749 CIFC42 H22 Cu4 O24F m m m25.042; 26.826; 30.848
90; 90; 90
20723Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi
The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks
Journal of the American Chemical Society, 2011, 133, 14204-14207
4106751 CIFC69 H45 Cu4 N9 O24F m m m22.751; 28.318; 57.36
90; 90; 90
36955Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi
The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks
Journal of the American Chemical Society, 2011, 133, 14204-14207
4108192 CIFC13 H27 Co Mo11 N8 O44 PF m m m13.055; 21.179; 21.966
90; 90; 90
6073.4Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang
CO2 Coordination by Inorganic Polyoxoanion in Water
Journal of the American Chemical Society, 2008, 130, 10838-10839
4108193 CIFC13 H28 Co Mo11 N8 O44 SiF m m m13.039; 21.333; 21.889
90; 90; 90
6088.7Guanggang Gao; Fengyan Li; Lin Xu; Xizheng Liu; Yanyan Yang
CO2 Coordination by Inorganic Polyoxoanion in Water
Journal of the American Chemical Society, 2008, 130, 10838-10839
4114464 CIFC16 H14F m m m10.6131; 11.0639; 27.486
90; 90; 90
3227.47Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit
Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study
Journal of the American Chemical Society, 2003, 125, 15110-15113
4114465 CIFC16 H14F m m m10.7675; 11.155; 27.708
90; 90; 90
3328Armin de Meijere; Sergei I. Kozhushkov; Karsten Rauch; Heiko Schill; Sergey P. Verevkin; Martin Kümmerlin; Hans-Dieter Beckhaus; Christoph Rüchardt; Dmitrii S. Yufit
Heats of Formation of [2.2]Paracyclophane-1-ene and [2.2]Paracyclophane-1,9-diene - An Experimental Study
Journal of the American Chemical Society, 2003, 125, 15110-15113
4116341 CIFC6 H16 N10 Ni O6F m m m12.0455; 7.271; 16.0707
90; 90; 90
1407.5Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young
Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State
Journal of the American Chemical Society, 1999, 121, 2808-2819
4116344 CIFC6 H16 N10 Ni O6F m m m12.0551; 7.2825; 16.0779
90; 90; 90
1411.5Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young
Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State
Journal of the American Chemical Society, 1999, 121, 2808-2819
4116346 CIFC6 H16 N10 Ni O6F m m m12.0551; 7.2846; 16.0766
90; 90; 90
1411.8Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young
Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State
Journal of the American Chemical Society, 1999, 121, 2808-2819
4118146 CIFC64 H56 Cl3 Mn6 N8 O24F m m m24.4424; 29.282; 30.7048
90; 90; 90
21976Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu
Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes
Journal of the American Chemical Society, 2012, 134, 10638-10645
4118147 CIFC52 H36 Cl2 Mn5 N4 Ni O24F m m m24.0125; 28.8745; 31.348
90; 90; 90
21735Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu
Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes
Journal of the American Chemical Society, 2012, 134, 10638-10645
4118148 CIFC52 H32 Cd5 Cl3 Mn N4 O22F m m m24.135; 29.2; 31.833
90; 90; 90
22434Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu
Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes
Journal of the American Chemical Society, 2012, 134, 10638-10645
4120365 CIFC456 H264 B18 F36 N72 O267.2 Pd12F m m m61.994; 61.977; 61.977
90; 90; 90
238128Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita
M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization
Journal of the American Chemical Society, 2013, 135, 12497-12499
4123009 CIFAs2 Ba Fe2F m m m5.6139; 5.5746; 12.9594
90; 90; 90
405.568Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.
Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.
Journal of the American Chemical Society, 2014, 141121132150009

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