Crystallography Open Database

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1008186 CIFI3 ThC c c m8.735; 20.297; 14.661
90; 90; 90		2599.3Beck, H P; Strobel, C
Th I~3~, ein Janus unter den Verbindungen mit Metall-Metall- Wechselwirkungen
Angewandte Chemie (German Edition), 1982, 94, 558-559
1512261 CIFC16 H88.8 Br N O26.4C c c m33.115; 33.158; 50.499
90; 90; 90		55449Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu
Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.
The journal of physical chemistry. B, 2013, 117, 10677-10685
1524699 CIFAl2 Pb Se4C c c m6.36; 10.63; 10.78
90; 90; 90		728.801Klee, W.; Schaefer, H.
Zur Kenntnis von Pb Al2 Se4 und Pb Ga2 Se4
Materials Research Bulletin, 1980, 15, 1033-1038
1525007 CIFD3.4 Ti4C c c m4.189; 4.23; 4.584
90; 90; 90		81.226Numakura, H.; Koiwa, M.; Asano, H.; Izumi, F.
Neutron diffraction study of the metastable gamma titanium deuteride
Acta Metallurgica, 1988, 36, 2267-2273
1525247 CIFMo20 O64 U3C c c m8.246; 28.76; 19.78
90; 90; 90		4690.92Serezhkin, V.N.; Kovba, L.M.; Trunov, V.K.
Structure of the double oxide alpha-U3 Mo20 O64
Kristallografiya, 1973, 18, 961-965
1525902 CIFC0.165 H0.24 Al3.992 Fe0.55 Mg1.464 Na0.05 O18.45 Si4.994C c c m17.109; 9.7423; 9.3318
90; 90; 90		1555.43Malcherek, T.; McCammon, C.; Tazzoli, V.; Ottolini, L.; Domeneghetti, M.C.; Carpenter, M.A.
Structural properties of ferromagnesian cordierites
American Mineralogist, 2001, 86, 66-79
1525904 CIFAl3.982 Fe1.265 H0.96 Li0.04 Mg0.716 Na0.091 O18.48 Si4.989C c c m17.1735; 9.7859; 9.3113
90; 90; 90		1564.84Malcherek, T.; Tazzoli, V.; Domeneghetti, M.C.; Ottolini, L.; Carpenter, M.A.; McCammon, C.
Structural properties of ferromagnesian cordierites
American Mineralogist, 2001, 86, 66-79
1527410 CIFAl4 H1.5 Mg2 O18.75 Si5C c c m17.083; 9.738; 9.335
90; 90; 90		1552.92Gibbs, G.V.
The polymorphism of cordierite(I): The crystal structure of low cordierite
American Mineralogist, 1966, 51, 1068-1087
1528242 CIFCr I6 Tl4C c c m12.941; 12.596; 9.602
90; 90; 90		1565.17Zandbergen, H.W.
Neutron powder diffraction on alpha-Tl4 Cr I6 and beta-Tl4 Cr I6
Journal of Solid State Chemistry, 1981, 38, 239-245
1529567 CIFAl4 Fe0.58 H1.7 Li0.36 Mg1.06 Na0.36 O18.85 Si5C c c m17.056; 9.783; 9.335
90; 90; 90		1557.63Armbruster, T.
Role of Na in the structure of low-cordierite: A single crystal X-ray study
American Mineralogist, 1986, 71, 746-757
1530762 CIFCa8.82 Cu24 La5.18 O41C c c m11.305; 12.61; 27.608
90; 90; 90		3935.69Siegrist, T.; Schneemeyer, L.F.; Sunshine, S.A.; Waszczak, J.V.; Roth, R.S.
A new layered cuprate structure-type, (A1-x A'x)14 Cu24 O41
Materials Research Bulletin, 1988, 23, 1429-1438
1533672 CIFCa10 Cu24 O41 Pr4C c c m11.278; 12.448; 27.486
90; 90; 90		3858.72Song, G.B.; Chen, X.L.; Han, C.Q.; Liang, J.K.; Liu, Q.L.; Liu, F.S.; Zhou, Y.Q.; Rao, G.H.
Subsolidus phase relation and crystal structure of compounds in the Pr Ox - Ca O - Cu O system
Journal of Solid State Chemistry, 2004, 177, 2394-2403
1536651 CIFGa2 Sr Te4C c c m6.74; 11.621; 11.634
90; 90; 90		911.239Eisenmann, B.; Schaefer, H.; Jakowski, M.
Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4
Revue de Chimie Minerale, 1982, 19, 263-273
1536655 CIFIn2 Sr Te4C c c m6.74; 11.621; 11.634
90; 90; 90		911.239Eisenmann, B.; Jakowski, M.; Schaefer, H.
Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4
Revue de Chimie Minerale, 1982, 19, 263-273
1536658 CIFBa In2 Te4C c c m6.74; 11.621; 11.634
90; 90; 90		911.239Eisenmann, B.; Jakowski, M.; Schaefer, H.
Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4
Revue de Chimie Minerale, 1982, 19, 263-273
1539972 CIFAl3.39 Be0.61 Ca0.19 Fe0.14 H1.84 Mg1.86 Na0.28 O18.92 Si5C c c m16.85; 9.729; 9.298
90; 90; 90		1524.26Yakubovich, O.V.; Massa, W.; Gavrilenko, P.G.; Pekov, I.V.; Chukanov, N.V.
Crystal structure of the Na-, Ca-, Be-cordierite and crystallochemical regularities in the cordierite-sekaninaite series
Kristallografiya, 2004, 49, 1049-1060
1544457 CIFBa La Mn O4C c c m5.504; 5.502; 13.265
90; 90; 90		401.7Nakano, H.; Kawabata, N.; Kamegashira, N.
New phase of BaLaMnO4-x formed by annealing in a reduced atmosphere
Journal of the Ceramic Society of Japan, 2008, 116, 445-448
1548717 CIFAl4 Fe2 O18 Si5C c c m17.2306; 9.8239; 9.2892
90; 90; 90		1572.4Udo Haefeker; Reinhard Kaindl; Peter Tropper; Hannes Kruger; Volker Kahlenberg; Maria Orlova
Structural investigations of the two polymorphs of synthetic Fe-cordierite and Raman spectroscopy of hexagonal Fe-cordierite
Mineralogy and Petrology, 2014, 108, 469-478
1556978 CIFAl3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98C c c m16.959; 9.653; 9.217
90; 90; 90		1508.9Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.
An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 4.9 GPa
American Mineralogist, 2013, 98, 181-186
1556979 CIFAl3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98C c c m16.944; 9.656; 9.216
90; 90; 90		1507.8Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.
An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 4.4 GPa
American Mineralogist, 2013, 98, 181-186
1556980 CIFAl3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98C c c m17.104; 9.746; 9.333
90; 90; 90		1555.8Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.
An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 1 bar
American Mineralogist, 2013, 98, 181-186
1558021 CIFC20 H44 Be8 I2 N16 OC c c m20.1994; 21.2118; 23.3361
90; 90; 90		9998.72Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.
Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters
Chemical Science, 2020, 11, 5415-5422
1563502 CIFAl1.97 Fe0.18 Mg1.82 Na0.03 O18.43 Si6.81C c c m17.068; 9.718; 9.336
90; 90; 90		1548.5Miletich, Ronald; Diego Gatta, G.; Redhammer, Günther J.; Burchard, Michael; Meyer, Hans-Peter; Weikusat, Christian; Rotiroti, Nicola; Glasmacher, Ulrich A.; Trautmann, Christina; Neumann, Reinhard
Structure alterations in microporous (Mg,Fe)2Al4Si5O18 crystals induced by energetic heavy-ion irradiation
Journal of Solid State Chemistry, 2010, 183, 2372-2381
1563503 CIFAl1.93 Fe0.06 Mg1.94 Na0.05 O18.78 Si6.72C c c m17.076; 9.735; 9.341
90; 90; 90		1552.8Miletich, Ronald; Diego Gatta, G.; Redhammer, Günther J.; Burchard, Michael; Meyer, Hans-Peter; Weikusat, Christian; Rotiroti, Nicola; Glasmacher, Ulrich A.; Trautmann, Christina; Neumann, Reinhard
Structure alterations in microporous (Mg,Fe)2Al4Si5O18 crystals induced by energetic heavy-ion irradiation
Journal of Solid State Chemistry, 2010, 183, 2372-2381
1571098 CIFC5.52 Co0.92 Cu N5.52 Rb0.9C c c m10.7927; 9.9495; 10.0194
90; 90; 90		1075.9Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.
The pressure response of Jahn-Teller-distorted Prussian blue analogues.
Chemical science, 2024, 15, 3155-3164
2200748 CIF
HKL
Paper		C10 H10 B Co F4C c c m7.3586; 11.9176; 12.4369
90; 90; 90		1090.68Cotton, F. Albert; Daniels, Lee M.; Wilkinson, Chad C.
A highly disordered cobaltocenium salt
Acta Crystallographica Section E, 2001, 57, m529-m530
2201809 CIF
Paper		C8 H26 F6 Ge N6 NiC c c m9.5937; 15.193; 10.819
90; 90; 90		1576.9Hong-Xia Zhang; Guo-Yu Yang; Yan-Qiong Sun
Bis(diethylenetriamine-κ^3^<i>N</i>)nickel hexafluorogermanate
Acta Crystallographica Section E, 2003, 59, m185-m187
2206241 CIF
HKL
Paper		C14 H10 Cu2 N6C c c m9.231; 13.375; 13.354
90; 90; 90		1648.7Xiaohua Pu; Xiaoming Jiang; Yibin Wei; Yanping Li; Pin Yang
Poly[dipyridinecopper(II)-μ-cyano-copper(II)-tri-μ-cyano]
Acta Crystallographica Section E, 2005, 61, m1393-m1395
2224967 CIF
HKL
Paper		C14 H10 Cd N6 ZnC c c m9.514; 13.935; 13.965
90; 90; 90		1851.4Li, Sheng; Tang, Kun; Zhang, Fu-Li
Poly[tetra-μ-cyanido-dipyridinecadmium(II)zinc(II)]
Acta Crystallographica Section E, 2010, 66, m108
2230507 CIF
HKL
Paper		C8 H26 Cl6 Co In N6C c c m10.8925; 14.7291; 12.2205
90; 90; 90		1960.62Wu, Qihui; Chen, Shangwen; Zhang, Cailing; Zhi, Xia; Chen, Zelin
Bis(diethylenetriamine)cobalt(III) hexachloridoindate(III)
Acta Crystallographica Section E, 2011, 67, m731
4119073 CIFB Cl15 K2 Zr6C c c m11.386; 15.98; 14.008
90; 90; 90		2548.73Corbett, J.D.; Ziebarth, R.P.
Cluster Framework Structures and Relationships. Two Compounds with a New Connectivity, K2 Zr6 Cl15 B and K3 Zr6 Cl15 Be
Journal of the American Chemical Society, 1988, 110, 1132-1139
4132298 CIFC51 H12 F24 N6C c c m15.3843; 93.285; 53.37
90; 90; 90		76593Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.
Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.
Journal of the American Chemical Society, 2018, 140, 6014-6026
4133382 CIFC60 H126 Br10 Mo6 N6 S18C c c m12.4938; 42.4264; 22.2065
90; 90; 90		11770.9Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.
Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.
Journal of the American Chemical Society, 2018, 140, 13618-13622
4301651 CIFC20 H11 Cu N0 O7C c c m15.9568; 29.329; 28.657
90; 90; 90		13411.4Shuting Wu; Liqing Ma; La-Sheng Long; Lan-Sun Zheng; Wenbin Lin
Three-Dimensional Metal-Organic Frameworks Based on Functionalized Tetracarboxylate Linkers: Synthesis, Strucures, and Gas Sorption Studies
Inorganic Chemistry, 2009, 48, 2436-2442
4301789 CIFC25 H64 Cu N6 O30C c c m9.0229; 21.6107; 24.0491
90; 90; 90		4689.4Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest
Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)
Inorganic Chemistry, 2009, 48, 2793-2807
4313893 CIFC54 H54 N8 O2 Pt2 S8C c c m11.706; 25.099; 19.033
90; 90; 90		5592.1Bradley W. Smucker; Joshua M. Hudson; Mohammad A. Omary; Kim R. Dunbar
Structural, Magnetic, and Optoelectronic Properties of (Diimine)(dithiolato)platinum(II) and -palladium(II) Complexes and Their Charge-Transfer Adducts with Nitrile Acceptors
Inorganic Chemistry, 2003, 42, 4714-4723
4317108 CIFC2 H2 O5 Pb2C c c m9.3955; 10.8276; 5.8133
90; 90; 90		591.39Catherine M. Mauck; Titus W. P. van den Heuvel; Michaela M. Hull; Matthias Zeller; Catherine M. Oertel
Synthesis and Structures of Pb3O2(CH3COO)2.0.5H2O and Pb2O(HCOO)2: Two Corrosion Products Revisited
Inorganic Chemistry, 2010, 49, 10736-10743
4318941 CIFC14 H24 Au2 N8 P2C c c m6.011; 23.877; 6.914
90; 90; 90		992.3Zerihun Assefa; Mohammad A. Omary; Brian G. McBurnett; Ahmed A. Mohamed; Howard H. Patterson; Richard J. Staples; John P. Fackler
Syntheses, Structure, and Photoluminescence Properties of the 1-Dimensional Chain Compounds [(TPA)2Au][Au(CN)2] and (TPA)AuCl (TPA = 1,3,5-Triaza-7-phosphaadamantane)
Inorganic Chemistry, 2002, 41, 6274-6280
4319070 CIFH172 Mo16 Na6 Ni22 O216 P26C c c m23.999; 36.595; 20.445
90; 90; 90		17956Charlotte du Peloux; Anne Dolbecq; Pierre Mialane; Jérôme Marrot; Eric Rivière; Francis Sécheresse
A New Two-Dimensional Molybdenum(V) Nickel Phosphate Built Up of [H18(Mo16O32)Ni16(PO4)26(OH)6(H2O)8]18- Wheels
Inorganic Chemistry, 2002, 41, 7100-7104
4324366 CIFC76 H48 Ag2 F12 N6.67 Sb2C c c m12.9114; 22.3632; 11.9153
90; 90; 90		3440.4Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley
Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers
Inorganic Chemistry, 2011, 50, 1123-1134
4333185 CIFC40 H76 Cu2 N8 O62 Si W12C c c m17.74; 22.157; 22.245
90; 90; 90		8744Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network
Inorganic Chemistry, 2006, 45, 10702-10711
4340426 CIFC2 H3 Cu N4C c c m11.3787; 13.5544; 11.5748
90; 90; 90		1785.2Wu, Tao; Yi, Bi-Hua; Li, Dan
Two novel nanoporous supramolecular architectures based on copper(i) coordination polymers with uniform (8, 3) and (8(2)10) nets: in situ formation of tetrazolate ligands.
Inorganic chemistry, 2005, 44, 4130-4132
4343903 CIFCo0.828 O13.968 PtC c c m14.379; 16.501; 5.682
90; 90; 90		1348.16Schultz, A.J.; Underhill, A.E.; Williams, J.M.
Preparation and crystal structure of the new paramagnetic one-dimensional conductor Co0.83 (Pt (C2 O4)2) (H2 O)6
Inorganic Chemistry, 1978, 17, 1313-1315
4345909 CIFC8 H12 Ag2 B12 F12 N4C c c m11.4426; 13.6213; 15.6534
90; 90; 90		2439.8Peryshkov, Dmitry V.; Strauss, Steven H.
Exceptional Structural Compliance of the B12F12(2-) Superweak Anion.
Inorganic chemistry, 2017, 56, 4072-4083
4349599 CIFCs2 H4 Hg O2 Se2C c c m7.5853; 16.7226; 7.0333
90; 90; 90		892.15Donsbach, C.; Dehnen, S.
Syntheses and properties of selenido mercurates with [HgSe2]2−anions in diverse chemical environments
Inorganic Chemistry Frontiers, 2017, 4, 336
4506378 CIFC6 H9 B2 F O5C c c m12.0489; 7.2772; 10.0552
90; 90; 90		881.66Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids
Crystal Growth & Design, 2012, 12, 3720
4506379 CIFC6 H8 B2 F2 O5C c c m12.207; 7.329; 10.0807
90; 90; 90		901.9Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids
Crystal Growth & Design, 2012, 12, 3720
4510276 CIFC26 H42 Cu N10 O10 P2C c c m13.158; 14.942; 16.667
90; 90; 90		3277Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy
Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−
Crystal Growth & Design, 2014, 14, 1701
4510277 CIFC20 H24 Cu N8 O6 P2C c c m13.158; 14.942; 16.667
90; 90; 90		3277Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy
Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−
Crystal Growth & Design, 2014, 14, 1701
4510278 CIFC20 H22 Cu N8 O6 P2C c c m13.4495; 15.0521; 16.6729
90; 90; 90		3375.3Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy
Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−
Crystal Growth & Design, 2014, 14, 1701

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