Crystallography Open Database

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2100942 CIF
Paper
O5 S TiP m m a10.942; 5.158; 25.726
90; 90; 90
1451.9Gatehouse, B. M.; Platts, S. N.; Williams, T. B.
Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure
Acta Crystallographica Section B, 1993, 49, 428-435
2106241 CIFC8 H16 N8 O6 WP m m a14.3; 9.881; 6.267
90; 90; 90
885.516Basson, S.S.; Bok, L.D.C.; Leipoldt, J.G.
The Square Antiprismatic Configuration for the Octacyanotungstate(IV) Ion. The Crystal Structure of H4 W (C N)8 (H2 O)6
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1209-1216
2106706 CIFAl11.3 Ni10.3 O32 Si2.4P m m a5.6664; 11.496; 8.0983
90; 90; 90
527.531Ma, C.; Sahl, K.; Tillmanns, E.
Nickel alumosilicate, phase I
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 2137-2139
2106985 CIFAl2 Ni3 O8 SiP m m a5.661; 8.59; 8.097
90; 90; 90
393.741Horioka, K.; Morimoto, N.; Nishiguchi, M.; Horiuchi, H.; Wkaogi, M.; Akimoto, S.I.
Structure of Nickel Aluminosilicate (Phase V): A High-Pressure Phase Related to Spinel
Acta Crystallographica B (24,1968-38,1982), 1981, 37, 638-640
2209034 CIF
HKL
Paper
Cs Te5 U ZrP m m a6.3101; 8.2299; 10.5401
90; 90; 90
547.36Jong-Young Kim; Danielle L. Gray; James A. Ibers
Caesium zirconium uranium pentatelluride, CsZrUTe~5~
Acta Crystallographica Section E, 2006, 62, i124-i125
2238916 CIF
Paper
C10 H28 N4 O26 Re V W4P m m a17.837; 9.163; 10.552
90; 90; 90
1724.6Maaloui, Ahlem; Toumi, Samah Akriche; Rzaigui, Mohamed
Bis(4-aminopyridinium) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate
Acta Crystallographica Section E, 2013, 69, m661-m662
2300622 CIF
HKL
Mn1.52 Ni2 Sn0.48P m m a8.6068; 5.6226; 4.3728
90; 90; 90
211.611Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang
Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy
Journal of Applied Crystallography, 2016, 49, 1276-1283
2310317 CIFCd MgP m m a5.0051; 3.2271; 5.277
90; 90; 90
85.234Steeple, H.
The crystal structure of the cadmium-magnesium alloy, Cd Mg
Acta Crystallographica (1,1948-23,1967), 1952, 5, 247-249
4002175 CIFB3 Nb3 Ru3P m m a10.8672; 3.1543; 6.35
90; 90; 90
217.67Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.
Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor
Chemistry of Materials, 2015, 27, 1149
4002817 CIFBi CuP m m a5.188995; 4.230802; 7.86657
90; 90; 90
172.7Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.
Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study
Chemistry of Materials, 2017, 29, 5276
4002884 CIFCs Cu5 Se3P m m a9.99085; 4.09781; 9.00711
90; 90; 90
368.757Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.
CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application
Chemistry of Materials, 2018, 30, 1121
4002885 CIFCs Cu5 S3P m m a9.63647; 3.95467; 8.94895
90; 90; 90
341.04Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.
CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application
Chemistry of Materials, 2018, 30, 1121
4107911 CIF
HKL
Ba Ca Fe3 Nd O8P m m a5.52075; 11.68876; 5.60301
90; 90; 90
361.566Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky
Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments
Journal of the American Chemical Society, 2008, 130, 7570-7583
4113918 CIFBa Fe2 Ho O5P m m a8.03183; 3.83589; 7.52198
90; 90; 90
231.746Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113919 CIFFeP m m a8.0314; 7.672; 7.5218
90; 90; 90
463.5Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113920 CIFBa Fe2 Ho O5P m m a8.02258; 3.84893; 7.54252
90; 90; 90
232.901Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4113921 CIFFeP m m a8.0228; 7.696; 7.5424
90; 90; 90
465.7Patrick M. Woodward; Emmanuelle Suard; Pavel Karen
Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell Perovskite Series between NdBaFe2O5 and HoBaFe2O5
Journal of the American Chemical Society, 2003, 125, 8889-8899
4119072 CIFB Cl15 Cs K Zr6P m m a18.672; 14.026; 9.731
90; 90; 90
2548.49Corbett, J.D.; Ziebarth, R.P.
Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds Cs K Zr6 Cl15 C and Cs K Zr6 Cl15 B
Journal of the American Chemical Society, 1987, 109, 4844-4850
4121091 CIFCa3 Li2 N6P m m a4.77472; 13.9792; 8.0718
90; 90; 90
538.77Sebastian B. Schneider; Markus Seibald; Volker L. Deringer; Ralf P. Stoffel; Rainer Frankovsky; Gina M. Friederichs; Henryk Laqua; Viola Duppel; Gunnar Jeschke; Richard Dronskowski; Wolfgang Schnick
High-Pressure Synthesis and Characterization of Li2Ca3[N2]3 - An Uncommon Metallic Diazenide with [N2]2- Ions
Journal of the American Chemical Society, 2013, 135, 16668-16679
4124474 CIFC Cl15 K Zr6P m m a18.489; 13.909; 9.69
90; 90; 90
2491.91Ziebarth, R.P.; Corbett, J.D.
Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds K Zr6 C15 C and Cs K Zr6 Cl15 B
Journal of the American Chemical Society, 1987, 109, 4844-4850
4124489 CIFO2 SiP m m a25.1106; 12.4972; 12.8596
90; 90; 90
4035.5Burton, A.; Medrud, R.C.; Elomari, S.; Chen Congyan; Chan, I.Y.; Vittoratos, E.S.; Bull, L.M.
The synthesis, characterization and structure solution of SSZ-58: a novel two-dimensional 10-ring pore zeolite with previously unseen double 5-ring subunit
Journal of the American Chemical Society, 2003, 125, 1633-1642
4124540 CIFLa0.606 Li0.183 O3 TiP m m a5.4353; 7.6942; 5.4366
90; 90; 90
227.36Garcia-Martin, S.; Alario-Franco, M.A.; Ehrenberg, H.; Rodriguez-Carvajal, J.; Amador, U.
Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials
Journal of the American Chemical Society, 2004, 126, 3587-3596
4124541 CIFLa0.58 O3 TiP m m a5.4276; 7.6947; 5.4126
90; 90; 90
226.05Garcia-Martin, S.; Alario-Franco, M.A.; Rodriguez-Carvajal, J.; Ehrenberg, H.; Amador, U.
Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials
Journal of the American Chemical Society, 2004, 126, 3587-3596
4134255 CIFC5 H16 Cl6 N2 Pb2P m m a14.9183; 5.8648; 9.4829
90; 90; 90
829.69Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen
A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.
Journal of the American Chemical Society, 2020
4135512 CIFC5 H16 Br4 N PbP m m a11.9047; 6.0106; 9.713
90; 90; 90
695.01Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen
Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.
Journal of the American Chemical Society, 2021, 143, 1664-1672
4301276 CIFC1.5 H4.13 F0.25 O3.06 P0.5 V0.5P m m a7.0716; 10.1515; 10.0344
90; 90; 90
720.34Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta
The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks
Inorganic Chemistry, 2009, 48, 953-963
4302645 CIFAu3 Rb2 TlP m m a5.6596; 6.7414; 9.0445
90; 90; 90
345.08Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett
Gold Tetrahedra as Building Blocks in K3Au5Tr (Tr = In, Tl) and Rb2Au3Tl and in Other Compounds: A Broad Group of Electron-Poor Intermetallic Phases
Inorganic Chemistry, 2009, 48, 6573-6583
4305632 CIFBa In4 IrP m m a8.642; 4.3958; 7.9064
90; 90; 90
300.35Andriy M. Palasyuk; John D. Corbett
BaIrIn4 and Ba2Ir4In13: Two In-Rich Polar Intermetallic Structures with Different Augmented Prismatic Environments about the Cations
Inorganic Chemistry, 2008, 47, 9344-9350
4306193 CIFLi6 O11 Sr3 Ta2P m m a10.5936; 8.3452; 5.8271
90; 90; 90
515.15M. Bharathy; V. A. Rassolov; S. Park; H.-C. zur Loye
Crystal Growth of Two New Photoluminescent Oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11
Inorganic Chemistry, 2008, 47, 9941-9945
4306194 CIFLi6 Nb2 O11 Sr3P m m a10.5834; 8.3103; 5.8277
90; 90; 90
512.55M. Bharathy; V. A. Rassolov; S. Park; H.-C. zur Loye
Crystal Growth of Two New Photoluminescent Oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11
Inorganic Chemistry, 2008, 47, 9941-9945
4307547 CIFC12.5 H18 Cl7 Mo1.5 N2.5 O3P m m a21.398; 8.057; 13.33
90; 90; 90
2298.1Farideh Jalilehvand; Vicky Mah; Bonnie O. Leung; Daniel Ross; Masood Parvez; Ricardo F. Aroca
Structural Characterization of Molybdenum(V) Species in Aqueous HCl Solutions
Inorganic Chemistry, 2007, 46, 4430-4445
4313200 CIF
HKL
Ba Fe2 O5 YP m m a8.02507; 3.83834; 7.53122
90; 90; 90
231.984Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313201 CIF
HKL
FeP m m a8.0246; 7.675; 7.5396
90; 90; 90
464.4Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313204 CIF
HKL
Ba Fe2 O5 YP m m a8.01615; 3.85239; 7.55409
90; 90; 90
233.28Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313205 CIF
HKL
FeP m m a8.0179; 7.6953; 7.5547
90; 90; 90
466.13Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313208 CIF
HKL
Ba Fe2 O5 YP m m a8.01407; 3.85511; 7.55766
90; 90; 90
233.495Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4313209 CIF
HKL
FeP m m a8.0151; 7.7042; 7.5566
90; 90; 90
466.62Patrick M. Woodward; Pavel Karen
Mixed Valence in YBaFe2O5
Inorganic Chemistry, 2003, 42, 1121-1129
4315099 CIFLa2 Se9 U2P m m a10.92; 5.61; 10.703
90; 90; 90
655.7Daniel E. Bugaris; Roy Copping; Tolek Tyliszczak; David K. Shuh; James A. Ibers
La2U2Se9: An Ordered Lanthanide/Actinide Chalcogenide with a Novel Structure Type
Inorganic Chemistry, 2010, 49, 2568-2575
4341867 CIFC3 Al Y3P m m a7.0256; 3.5647; 9.9585
90; 90; 90
249.4Kotyrba, Martin R.; Cuervo-Reyes, Eduardo; Nesper, Reinhard
Crystal Structure and Electronic Properties of Y3AlC3.
Inorganic chemistry, 2015, 54, 710-712
4347870 CIFC22 H24 Cl F12 N6 O14 P2 Pt2 Ru2P m m a20.221; 10.807; 12.736
90; 90; 90
2783Uemura, Kazuhiro; Uesugi, Naoyuki; Matsuyama, Akina; Ebihara, Masahiro; Yoshikawa, Hirofumi; Awaga, Kunio
Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.
Inorganic chemistry, 2016, 55, 7003-7011
4348364 CIFC12 H13 N5 O5 Zn2P m m a14.214; 7.4339; 7.5208
90; 90; 90
794.7Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming
Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism
Inorganic Chemistry Frontiers, 2015, 2, 136
6000235 CIFAl14 O25 Sr4P m m a24.7451; 8.4735; 4.8808
90; 90; 90
1023.39Wang, D.; Wang, M. Q.; Lu, G. L.
Synthesis, crystal structure and X-ray powder diffraction data of the phosphor matrix 4SrO . 7Al(2)O(3)
Journal of Materials Science, 1999, 34, 4959-4964
7002037 CIFC20 H22 Ag3 I3 N6 O SP m m a6.7715; 15.2581; 14.6406
90; 90; 90
1512.67Deißler, Christine; Rominger, Frank; Kunz, Doris
Controlling the coordination modes of a new and highly flexible ligand bearing two N-heterocyclic carbene moieties at a bipyridine backbone
Dalton Transactions, 2009, 7152
7045151 CIFC16 Fe N9 PtP m m a27.4566; 7.3683; 14.4844
90; 90; 90
2930.32Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun
Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 1407-1411
7045153 CIFC22 Fe N11.5 PtP m m a27.494; 7.2434; 14.3883
90; 90; 90
2865.4Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun
Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 1407-1411
7057316 CIFC24 H58 Cu2 F12 N4 O3 Sb2P m m a20.2536; 13.1606; 7.46
90; 90; 90
1988.46Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.
Ligand and electronic effects on copper‒arylnitroso self-assembly
New Journal of Chemistry, 2018, 42, 7758
7108438 CIFC29 H47 Cu N13 O9P m m a7.102; 15.819; 18.669
90; 90; 90
2097.4Gao-Chao Lv; Peng Wang; Qing Liu; Jian Fan; Kai Chen; Wei-Yin Sun
Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations
Chem.Commun., 2012, 48, 10249
7108441 CIFC29 H45 Cu N13 O8P m m a7.067; 15.675; 18.811
90; 90; 90
2083.8Gao-Chao Lv; Peng Wang; Qing Liu; Jian; Fan; Kai Chen; Wei-Yin Sun
Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations
Chem.Commun., 2012, 48, 10249
7115211 CIFC10 H24 Br5 Mn O7 TlP m m a15.879; 10.122; 7.1085
90; 90; 90
1142.5Reid, Howard O. N.; Kahwa, Ishenkumba A.; White, Andrew J. P.; Williams, David J.
Seven-coordinate Mn2+ ions in [Mn(15-crown-5)(H2O)2]2+ as luminescent probes for dynamic supramolecular events†
Chemical Communications, 1999, 1565
7116033 CIFC143 H20 N2 O8 Rh2 S2P m m a19.6991; 15.8057; 12.8041
90; 90; 90
3986.7Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch
Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks
Chem.Commun., 2014, 50, 15152

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